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

Systemtic Name: 3-(3-fluorophenyl)-N-(2-methoxyethyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)quinazoline-7-carboxamide Openeye Name: 2-benzylsulfanyl-3-(3-fluorophenyl)-N-(2-methoxyethyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 3-(3-fluorophenyl)-N-(2-methoxyethyl)-4-oxo-2-(phenylmethylthio)-7-quinazolinecarboxamide IUPAC Name: 2-benzylsulfanyl-3-(3-fluorophenyl)-N-(2-methoxyethyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-(benzylthio)-3-(3-fluorophenyl)-4-keto-N-(2-methoxyethyl)quinazoline-7-carboxamide Formula: C25H22FN3O3S MolecularWeight: 463.523883

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3)C4=CC(=CC=C4)F

Isomeric SMILES

COCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3)C4=CC(=CC=C4)F

InChI

InChI=1S/C25H22FN3O3S/c1-32-13-12-27-23(30)18-10-11-21-22(14-18)28-25(33-16-17-6-3-2-4-7-17)29(24(21)31)20-9-5-8-19(26)15-20/h2-11,14-15H,12-13,16H2,1H3,(H,27,30)