Compound Identification
SMILES
CN1C=C([C@H]2N3C(S\C(=C/C4=CC(=CC=C4)[N+]([O-])=O)C3=O)=NC(C)=C2C(N)=O)C(C)=N1
InChIKey
InChIKey=YNXJDWDBMVAFLK-XYMPBJBSSA-N
Formula
C20H18N6O4S
Mass
438.46
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
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Level 5
Pyrimidinecarboxylic acids and derivatives
- Level 6 Pyrimidinecarboxamides
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Level 5
Pyrimidinecarboxylic acids and derivatives
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Subclass
Pyrimidines and pyrimidine derivatives
-
Class
Diazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Pyrimidinecarboxylic acids and derivatives
Direct Parent
Pyrimidinecarboxamides
Alternative Parents
Nitrobenzenes Nitroaromatic compounds Thiazoles Pyrazoles Heteroaromatic compounds Primary carboxylic acid amides Isothioureas Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Organic salts Hydrocarbon derivatives Organic zwitterions Carbonyl compounds Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Pyrimidinecarboxamide - Nitroaromatic compound - Monocyclic benzene moiety - Benzenoid - Azole - Pyrazole - Heteroaromatic compound - Thiazole - Carboxamide group - Isothiourea - Lactam - C-nitro compound - Primary carboxylic acid amide - Organic nitro compound - Azacycle - Organic oxoazanium - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Organic salt - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidinecarboxamides. These are compounds containing a pyrimidine ring which bears a carboxamide.
External Descriptors
Not available