Compound Identification
SMILES
CC1=C([C@H](NC(=S)N1)C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)(C)C
InChIKey
InChIKey=SXHFBGGTGKKSSU-CYBMUJFWSA-N
Formula
C16H19N3O4S
Mass
349.41
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 Thioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hydropyrimidine carboxylic acid derivative - Nitrobenzene - Nitroaromatic compound - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Monocyclic benzene moiety - Benzenoid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - 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 - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Carbonyl group - 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