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

Systemtic Name: 2-(cyanomethylsulfanyl)-N-(2-methoxyethyl)-3-(3-methoxyphenyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-(cyanomethylsulfanyl)-N-(2-methoxyethyl)-3-(3-methoxyphenyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-(cyanomethylthio)-N-(2-methoxyethyl)-3-(3-methoxyphenyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-(2-methoxyethyl)-3-(3-methoxyphenyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-(cyanomethylthio)-4-keto-N-(2-methoxyethyl)-3-(3-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(=CC=C3)OC

Isomeric SMILES

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

InChI

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