Compound Identification
SMILES
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1C1=CC=C(O1)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=RILHCIACTVQLLZ-MRXNPFEDSA-N
Formula
C18H17N3O5S
Mass
387.41
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazines
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Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Hydropyrimidines
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Subclass
Pyrimidines and pyrimidine derivatives
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Class
Diazines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Hydropyrimidines
Direct Parent
Hydropyrimidine carboxylic acids and derivatives
Alternative Parents
Nitrobenzenes Nitroaromatic compounds Pyrimidinethiones 2-Thiopyrimidines Vinylogous amides Enoate esters Furans Heteroaromatic compounds Thioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxoazanium compounds Organic zwitterions Hydrocarbon derivatives Carbonyl compounds Organic salts Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hydropyrimidine carboxylic acid derivative - Nitrobenzene - Nitroaromatic compound - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Monocyclic benzene moiety - Benzenoid - Furan - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Vinylogous amide - Organic nitro compound - Thiourea - Carboxylic acid ester - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organic oxoazanium - Carbonyl group - Organonitrogen compound - Organic oxide - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Organic zwitterion - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as hydropyrimidine carboxylic acids and derivatives. These are compounds containing a hydrogenated pyrimidine ring which bears a carboxylic acid group.
External Descriptors
Not available