Compound Identification
SMILES
COC1=CC=C(C=C1)N1C(=O)C2=C(SC3=C2CCN(C)C3)N=C1SCC(N)=O
InChIKey
InChIKey=YZVYYZUEYZGQOE-UHFFFAOYSA-N
Formula
C19H20N4O3S2
Mass
416.51
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
Methoxyanilines Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Alkylarylthioethers Pyrimidones Aralkylamines Thiophenes Heteroaromatic compounds Trialkylamines Amino acids and derivatives Primary carboxylic acid amides Lactams Azacyclic compounds Sulfenyl compounds Organopnictogen compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Methoxyaniline - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Aryl thioether - Alkyl aryl ether - Aralkylamine - Alkylarylthioether - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Thiophene - Carboxamide group - Lactam - Primary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Ether - Carboxylic acid derivative - Sulfenyl compound - Thioether - Azacycle - Organopnictogen compound - Amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen 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