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

Systemtic Name: 2-(cyanomethylsulfanyl)-3-(2-methoxyethyl)-N-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-(cyanomethylsulfanyl)-N-isobutyl-3-(2-methoxyethyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-(cyanomethylthio)-3-(2-methoxyethyl)-N-(2-methylpropyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-(cyanomethylsulfanyl)-3-(2-methoxyethyl)-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-(cyanomethylthio)-N-isobutyl-4-keto-3-(2-methoxyethyl)quinazoline-7-carboxamide Formula: C18H22N4O3S MolecularWeight: 374.45728

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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)CCOC

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O3S/c1-12(2)11-20-16(23)13-4-5-14-15(10-13)21-18(26-9-6-19)22(17(14)24)7-8-25-3/h4-5,10,12H,7-9,11H2,1-3H3,(H,20,23)