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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Thienopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thienopyrimidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Thienopyrimidines
Alternative Parents
Benzothiazoles Benzylamines Phenylmethylamines Aminopyrimidines and derivatives N-alkylpiperazines Aralkylamines Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Thiazoles Thiophenes Amino acids and derivatives Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
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