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

Systemtic Name: 2-(cyanomethylsulfanyl)-N-cyclopentyl-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-(cyanomethylsulfanyl)-N-cyclopentyl-3-isobutyl-4-oxo-quinazoline-7-carboxamide CAS Name: 2-(cyanomethylthio)-N-cyclopentyl-3-(2-methylpropyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-cyclopentyl-3-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-(cyanomethylthio)-N-cyclopentyl-3-isobutyl-4-keto-quinazoline-7-carboxamide Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCC3)N=C1SCC#N

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCC3)N=C1SCC#N

InChI

InChI=1S/C20H24N4O2S/c1-13(2)12-24-19(26)16-8-7-14(18(25)22-15-5-3-4-6-15)11-17(16)23-20(24)27-10-9-21/h7-8,11,13,15H,3-6,10,12H2,1-2H3,(H,22,25)