2-(cyanomethylsulfanyl)-3-cyclohexyl-N-(3,4-dimethoxyphenyl)-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: 2-(cyanomethylsulfanyl)-3-cyclohexyl-N-(3,4-dimethoxyphenyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-(cyanomethylsulfanyl)-3-cyclohexyl-N-(3,4-dimethoxyphenyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-(cyanomethylthio)-3-cyclohexyl-N-(3,4-dimethoxyphenyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-(cyanomethylsulfanyl)-3-cyclohexyl-N-(3,4-dimethoxyphenyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-(cyanomethylthio)-3-cyclohexyl-N-(3,4-dimethoxyphenyl)-4-keto-quinazoline-7-carboxamide Formula: C25H26N4O4S MolecularWeight: 478.56334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC#N)C4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC#N)C4CCCCC4)OC

InChI

InChI=1S/C25H26N4O4S/c1-32-21-11-9-17(15-22(21)33-2)27-23(30)16-8-10-19-20(14-16)28-25(34-13-12-26)29(24(19)31)18-6-4-3-5-7-18/h8-11,14-15,18H,3-7,13H2,1-2H3,(H,27,30)