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

Systemtic Name: 2-(cyanomethylsulfanyl)-N-cyclohexyl-4-oxidanylidene-3-pentyl-quinazoline-7-carboxamide Openeye Name: 2-(cyanomethylsulfanyl)-N-cyclohexyl-4-oxo-3-pentyl-quinazoline-7-carboxamide CAS Name: 2-(cyanomethylthio)-N-cyclohexyl-4-oxo-3-pentyl-7-quinazolinecarboxamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-cyclohexyl-4-oxo-3-pentylquinazoline-7-carboxamide Traditional Name: 3-amyl-2-(cyanomethylthio)-N-cyclohexyl-4-keto-quinazoline-7-carboxamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCCC3)N=C1SCC#N

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCCC3)N=C1SCC#N

InChI

InChI=1S/C22H28N4O2S/c1-2-3-7-13-26-21(28)18-11-10-16(15-19(18)25-22(26)29-14-12-23)20(27)24-17-8-5-4-6-9-17/h10-11,15,17H,2-9,13-14H2,1H3,(H,24,27)