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

Systemtic Name: 2-(cyanomethylsulfanyl)-3-(3-fluorophenyl)-N-(2-methoxyethyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-(cyanomethylsulfanyl)-3-(3-fluorophenyl)-N-(2-methoxyethyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-(cyanomethylthio)-3-(3-fluorophenyl)-N-(2-methoxyethyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-(cyanomethylsulfanyl)-3-(3-fluorophenyl)-N-(2-methoxyethyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-(cyanomethylthio)-3-(3-fluorophenyl)-4-keto-N-(2-methoxyethyl)quinazoline-7-carboxamide Formula: C20H17FN4O3S MolecularWeight: 412.437383

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C20H17FN4O3S/c1-28-9-8-23-18(26)13-5-6-16-17(11-13)24-20(29-10-7-22)25(19(16)27)15-4-2-3-14(21)12-15/h2-6,11-12H,8-10H2,1H3,(H,23,26)