N-cyclopentyl-3-(3,5-dimethoxyphenyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)quinazoline-7-carboxamide

Systemtic Name: N-cyclopentyl-3-(3,5-dimethoxyphenyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)quinazoline-7-carboxamide Openeye Name: 2-benzylsulfanyl-N-cyclopentyl-3-(3,5-dimethoxyphenyl)-4-oxo-quinazoline-7-carboxamide CAS Name: N-cyclopentyl-3-(3,5-dimethoxyphenyl)-4-oxo-2-(phenylmethylthio)-7-quinazolinecarboxamide IUPAC Name: 2-benzylsulfanyl-N-cyclopentyl-3-(3,5-dimethoxyphenyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-(benzylthio)-N-cyclopentyl-3-(3,5-dimethoxyphenyl)-4-keto-quinazoline-7-carboxamide Formula: C29H29N3O4S MolecularWeight: 515.62326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4CCCC4)N=C2SCC5=CC=CC=C5)OC

Isomeric SMILES

COC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4CCCC4)N=C2SCC5=CC=CC=C5)OC

InChI

InChI=1S/C29H29N3O4S/c1-35-23-15-22(16-24(17-23)36-2)32-28(34)25-13-12-20(27(33)30-21-10-6-7-11-21)14-26(25)31-29(32)37-18-19-8-4-3-5-9-19/h3-5,8-9,12-17,21H,6-7,10-11,18H2,1-2H3,(H,30,33)