Compound Identification
SMILES
CC1CCN(CCCN2C(=S)NC3=C(SC4=C3C=C(C=C4)[N+]([O-])=O)C2=O)CC1
InChIKey
InChIKey=DLHKKJFAFMGEFA-UHFFFAOYSA-N
Formula
C19H22N4O3S2
Mass
418.53
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
1-benzothiophenes Nitroaromatic compounds Pyrimidones Pyrimidinethiones 2-Thiopyrimidines Piperidines Benzenoids Vinylogous amides Thiophenes Heteroaromatic compounds Trialkylamines Thioureas Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiophene - 1-benzothiophene - Thienopyrimidine - Nitroaromatic compound - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Pyrimidone - Piperidine - Pyrimidine - Benzenoid - Heteroaromatic compound - Thiophene - Vinylogous amide - Lactam - C-nitro compound - Organic nitro compound - Tertiary amine - Tertiary aliphatic amine - Thiourea - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Amine - Organic zwitterion - 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