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

Systemtic Name: 2-(cyanomethylsulfanyl)-N-(2-methoxyethyl)-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: 3-benzyl-2-(cyanomethylsulfanyl)-N-(2-methoxyethyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-(cyanomethylthio)-N-(2-methoxyethyl)-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-2-(cyanomethylsulfanyl)-N-(2-methoxyethyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 3-benzyl-2-(cyanomethylthio)-4-keto-N-(2-methoxyethyl)quinazoline-7-carboxamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O3S/c1-28-11-10-23-19(26)16-7-8-17-18(13-16)24-21(29-12-9-22)25(20(17)27)14-15-5-3-2-4-6-15/h2-8,13H,10-12,14H2,1H3,(H,23,26)