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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)NCCOC)N=C1SCC#N

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)NCCOC)N=C1SCC#N

InChI

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