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

Systemtic Name: 2-(cyanomethylsulfanyl)-3-(3-methoxyphenyl)-4-oxidanylidene-N-propan-2-yl-quinazoline-7-carboxamide Openeye Name: 2-(cyanomethylsulfanyl)-N-isopropyl-3-(3-methoxyphenyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-(cyanomethylthio)-3-(3-methoxyphenyl)-4-oxo-N-propan-2-yl-7-quinazolinecarboxamide IUPAC Name: 2-(cyanomethylsulfanyl)-3-(3-methoxyphenyl)-4-oxo-N-propan-2-ylquinazoline-7-carboxamide Traditional Name: 2-(cyanomethylthio)-N-isopropyl-4-keto-3-(3-methoxyphenyl)quinazoline-7-carboxamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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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)C3=CC(=CC=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O3S/c1-13(2)23-19(26)14-7-8-17-18(11-14)24-21(29-10-9-22)25(20(17)27)15-5-4-6-16(12-15)28-3/h4-8,11-13H,10H2,1-3H3,(H,23,26)