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Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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