Compound Identification
SMILES
COC1=C(OC)C=C(CCNC(=O)CN2C(=S)NC3=C(C=CC=N3)C2=O)C=C1
InChIKey
InChIKey=VCJVQMIQCQSNMT-UHFFFAOYSA-N
Formula
C19H20N4O4S
Mass
400.45
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyridopyrimidines
- Subclass Pyrido[2,3-d]pyrimidines
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Class
Pyridopyrimidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridopyrimidines
Subclass
Pyrido[2,3-d]pyrimidines
Intermediate Tree Nodes
Not available
Direct Parent
Pyrido[2,3-d]pyrimidines
Alternative Parents
Dimethoxybenzenes Phenoxy compounds Anisoles Pyrimidones Pyrimidinethiones 2-Thiopyrimidines Alkyl aryl ethers Pyridines and derivatives Vinylogous amides Heteroaromatic compounds Thioureas Secondary carboxylic acid amides Lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrido[2,3-d]pyrimidine - O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - 2-thiopyrimidine - Thiopyrimidine - Pyrimidone - Pyrimidinethione - Monocyclic benzene moiety - Pyridine - Benzenoid - Pyrimidine - Vinylogous amide - Heteroaromatic compound - Carboxamide group - Lactam - Thiourea - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrido[2,3-d]pyrimidines. These are compounds containing the pyrido[2,3-d]pyrimidine ring system, which is a pyridopyrimidine isomer with three ring nitrogen atoms at the 1-, 3-, and 8- position.
External Descriptors
Not available