2-(cyanomethylsulfanyl)-N-cyclopentyl-3-(3-methoxyphenyl)-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: 2-(cyanomethylsulfanyl)-N-cyclopentyl-3-(3-methoxyphenyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-(cyanomethylsulfanyl)-N-cyclopentyl-3-(3-methoxyphenyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-(cyanomethylthio)-N-cyclopentyl-3-(3-methoxyphenyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-cyclopentyl-3-(3-methoxyphenyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-(cyanomethylthio)-N-cyclopentyl-4-keto-3-(3-methoxyphenyl)quinazoline-7-carboxamide Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4CCCC4)N=C2SCC#N

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4CCCC4)N=C2SCC#N

InChI

InChI=1S/C23H22N4O3S/c1-30-18-8-4-7-17(14-18)27-22(29)19-10-9-15(21(28)25-16-5-2-3-6-16)13-20(19)26-23(27)31-12-11-24/h4,7-10,13-14,16H,2-3,5-6,12H2,1H3,(H,25,28)