N-(2-cyano-3-methyl-butan-2-yl)-2-[3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-[3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[[3-[2-(1-cyclohexenyl)ethyl]-6,7-dimethoxy-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-[3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[[3-[2-(cyclohexen-1-yl)ethyl]-4-keto-6,7-dimethoxy-quinazolin-2-yl]thio]acetamide Formula: C26H34N4O4S MolecularWeight: 498.63756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CSC1=NC2=CC(=C(C=C2C(=O)N1CCC3=CCCCC3)OC)OC

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)CSC1=NC2=CC(=C(C=C2C(=O)N1CCC3=CCCCC3)OC)OC

InChI

InChI=1S/C26H34N4O4S/c1-17(2)26(3,16-27)29-23(31)15-35-25-28-20-14-22(34-5)21(33-4)13-19(20)24(32)30(25)12-11-18-9-7-6-8-10-18/h9,13-14,17H,6-8,10-12,15H2,1-5H3,(H,29,31)