2-(cyanomethylsulfanyl)-N-[2-(cyclohexen-1-yl)ethyl]-3-cyclohexyl-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: 2-(cyanomethylsulfanyl)-N-[2-(cyclohexen-1-yl)ethyl]-3-cyclohexyl-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-(cyanomethylsulfanyl)-N-[2-(cyclohexen-1-yl)ethyl]-3-cyclohexyl-4-oxo-quinazoline-7-carboxamide CAS Name: 2-(cyanomethylthio)-N-[2-(1-cyclohexenyl)ethyl]-3-cyclohexyl-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-[2-(cyclohexen-1-yl)ethyl]-3-cyclohexyl-4-oxoquinazoline-7-carboxamide Traditional Name: 2-(cyanomethylthio)-N-[2-(cyclohexen-1-yl)ethyl]-3-cyclohexyl-4-keto-quinazoline-7-carboxamide Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CCCCC4)N=C2SCC#N

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CCCCC4)N=C2SCC#N

InChI

InChI=1S/C25H30N4O2S/c26-14-16-32-25-28-22-17-19(23(30)27-15-13-18-7-3-1-4-8-18)11-12-21(22)24(31)29(25)20-9-5-2-6-10-20/h7,11-12,17,20H,1-6,8-10,13,15-16H2,(H,27,30)