Compound Identification
SMILES
CS(=O)(=O)CCNCC1=NC(=CS1)C1=NC=C2N=CN=C(NC3=CC=C(OCC4=CC=CC=C4)C=C3)C2=C1
InChIKey
InChIKey=YXLIPWMVEJRRIQ-UHFFFAOYSA-N
Formula
C27H26N6O3S2
Mass
546.66
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[3,4-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[3,4-d]pyrimidines
Intermediate Tree Nodes
Not available
Direct Parent
Pyrido[3,4-d]pyrimidines
Alternative Parents
Phenoxy compounds Phenol ethers Aniline and substituted anilines Aralkylamines Aminopyrimidines and derivatives Alkyl aryl ethers 2,4-disubstituted thiazoles Pyridines and derivatives Imidolactams Sulfones Heteroaromatic compounds Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrido[3,4-d]pyrimidine - Phenol ether - Phenoxy compound - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - Aralkylamine - Alkyl aryl ether - Aminopyrimidine - Pyridine - Pyrimidine - Imidolactam - Benzenoid - Monocyclic benzene moiety - Thiazole - Sulfonyl - Heteroaromatic compound - Azole - Sulfone - Azacycle - Secondary aliphatic amine - Ether - Secondary amine - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrido[3,4-d]pyrimidines. These are compounds containing the pyrido[3,4-d]pyrimidine ring system, which is a pyridopyrimidine isomer with three ring nitrogen atoms at the 1-, 3-, and 7- position.
External Descriptors
Not available