2-[(3-fluorophenyl)methylsulfanyl]-N-(2-methoxyethyl)-3-(3-methoxyphenyl)-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: 2-[(3-fluorophenyl)methylsulfanyl]-N-(2-methoxyethyl)-3-(3-methoxyphenyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-[(3-fluorophenyl)methylsulfanyl]-N-(2-methoxyethyl)-3-(3-methoxyphenyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(3-fluorophenyl)methylthio]-N-(2-methoxyethyl)-3-(3-methoxyphenyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-[(3-fluorophenyl)methylsulfanyl]-N-(2-methoxyethyl)-3-(3-methoxyphenyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-[(3-fluorobenzyl)thio]-4-keto-N-(2-methoxyethyl)-3-(3-methoxyphenyl)quinazoline-7-carboxamide Formula: C26H24FN3O4S MolecularWeight: 493.549863

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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)F)C4=CC(=CC=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H24FN3O4S/c1-33-12-11-28-24(31)18-9-10-22-23(14-18)29-26(35-16-17-5-3-6-19(27)13-17)30(25(22)32)20-7-4-8-21(15-20)34-2/h3-10,13-15H,11-12,16H2,1-2H3,(H,28,31)