4-[2-(cyanomethylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide

Systemtic Name: 4-[2-(cyanomethylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide Openeye Name: 4-[2-(cyanomethylsulfanyl)-4-oxo-quinazolin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide CAS Name: 4-[2-(cyanomethylthio)-4-oxo-3-quinazolinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide IUPAC Name: 4-[2-(cyanomethylsulfanyl)-4-oxoquinazolin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide Traditional Name: 4-[2-(cyanomethylthio)-4-keto-quinazolin-3-yl]-N-homoveratryl-butyramide Formula: C24H26N4O4S MolecularWeight: 466.55264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CCCN2C(=O)C3=CC=CC=C3N=C2SCC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CCCN2C(=O)C3=CC=CC=C3N=C2SCC#N)OC

InChI

InChI=1S/C24H26N4O4S/c1-31-20-10-9-17(16-21(20)32-2)11-13-26-22(29)8-5-14-28-23(30)18-6-3-4-7-19(18)27-24(28)33-15-12-25/h3-4,6-7,9-10,16H,5,8,11,13-15H2,1-2H3,(H,26,29)