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

Systemtic Name: 2-(cyanomethylsulfanyl)-N-(2-methoxyethyl)-3-(4-methoxyphenyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-(cyanomethylsulfanyl)-N-(2-methoxyethyl)-3-(4-methoxyphenyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-(cyanomethylthio)-N-(2-methoxyethyl)-3-(4-methoxyphenyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-(2-methoxyethyl)-3-(4-methoxyphenyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-(cyanomethylthio)-4-keto-N-(2-methoxyethyl)-3-(4-methoxyphenyl)quinazoline-7-carboxamide Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O4S/c1-28-11-10-23-19(26)14-3-8-17-18(13-14)24-21(30-12-9-22)25(20(17)27)15-4-6-16(29-2)7-5-15/h3-8,13H,10-12H2,1-2H3,(H,23,26)