Compound Identification
SMILES
CCCCCCCCCCCCCCCC1=C(C2N(CCCN(C)CC3=CC=CC=C3)C(=S)NC(C)=C2C(=O)OC(C)C)C(OC)=CC=C1
InChIKey
InChIKey=MIISDAQTHJJSFL-UHFFFAOYSA-N
Formula
C42H65N3O3S
Mass
692.06
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Hydropyrimidines
-
Subclass
Pyrimidines and pyrimidine derivatives
-
Class
Diazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Hydropyrimidines
Direct Parent
Hydropyrimidine carboxylic acids and derivatives
Alternative Parents
Anisoles Benzylamines Methoxybenzenes Phenoxy compounds Phenylmethylamines 2-Thiopyrimidines Alkyl aryl ethers Aralkylamines Pyrimidinethiones Enoate esters Vinylogous amides Trialkylamines Amino acids and derivatives Thioureas Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hydropyrimidine carboxylic acid derivative - Anisole - Benzylamine - Phenoxy compound - Phenol ether - Phenylmethylamine - Methoxybenzene - Alkyl aryl ether - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Vinylogous amide - Tertiary aliphatic amine - Thiourea - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Amine - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as hydropyrimidine carboxylic acids and derivatives. These are compounds containing a hydrogenated pyrimidine ring which bears a carboxylic acid group.
External Descriptors
Not available