Structure Information
Structure

Compound Identification

SMILES

O=C([C@@H]1CCC2=C(C1)SC1=NC=NC(NC3=CC4=C(NC(=O)S4)C=C3)=C21)N1CCN(CC2=CC=CC=C2)CC1

InChIKey

InChIKey=BDPUWUAUZWZMRV-LJQANCHMSA-N

Formula

C29H28N6O2S2

Mass

556.7

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Thienopyrimidines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Thienopyrimidines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1,3-benzothiazole - Thienopyrimidine - Benzylamine - Phenylmethylamine - Aminopyrimidine - N-alkylpiperazine - Aralkylamine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Pyrimidine - Benzenoid - Imidolactam - Thiazole - Tertiary carboxylic acid amide - Azole - Thiophene - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as thienopyrimidines. These are heterocyclic compounds containing a thiophene ring fused to a pyrimidine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.

External Descriptors

Not available

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