2-(cyanomethylsulfanyl)-4-oxidanylidene-3-(phenylmethyl)-N-propan-2-yl-quinazoline-7-carboxamide

Systemtic Name: 2-(cyanomethylsulfanyl)-4-oxidanylidene-3-(phenylmethyl)-N-propan-2-yl-quinazoline-7-carboxamide Openeye Name: 3-benzyl-2-(cyanomethylsulfanyl)-N-isopropyl-4-oxo-quinazoline-7-carboxamide CAS Name: 2-(cyanomethylthio)-4-oxo-3-(phenylmethyl)-N-propan-2-yl-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-2-(cyanomethylsulfanyl)-4-oxo-N-propan-2-ylquinazoline-7-carboxamide Traditional Name: 3-benzyl-2-(cyanomethylthio)-N-isopropyl-4-keto-quinazoline-7-carboxamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC#N)CC3=CC=CC=C3

Isomeric SMILES

CC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC#N)CC3=CC=CC=C3

InChI

InChI=1S/C21H20N4O2S/c1-14(2)23-19(26)16-8-9-17-18(12-16)24-21(28-11-10-22)25(20(17)27)13-15-6-4-3-5-7-15/h3-9,12,14H,11,13H2,1-2H3,(H,23,26)