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

Systemtic Name: 2-(cyanomethylsulfanyl)-3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-(cyanomethylsulfanyl)-N-isobutyl-3-(4-methoxyphenyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-(cyanomethylthio)-3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-(cyanomethylsulfanyl)-3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-(cyanomethylthio)-N-isobutyl-4-keto-3-(4-methoxyphenyl)quinazoline-7-carboxamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC#N)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC#N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H22N4O3S/c1-14(2)13-24-20(27)15-4-9-18-19(12-15)25-22(30-11-10-23)26(21(18)28)16-5-7-17(29-3)8-6-16/h4-9,12,14H,11,13H2,1-3H3,(H,24,27)