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

Systemtic Name: 2-[(2-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-[(2-fluorophenyl)methylsulfanyl]-N-isobutyl-3-(4-methoxyphenyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(2-fluorophenyl)methylthio]-3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-[(2-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-[(2-fluorobenzyl)thio]-N-isobutyl-4-keto-3-(4-methoxyphenyl)quinazoline-7-carboxamide Formula: C27H26FN3O3S MolecularWeight: 491.577043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3F)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3F)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H26FN3O3S/c1-17(2)15-29-25(32)18-8-13-22-24(14-18)30-27(35-16-19-6-4-5-7-23(19)28)31(26(22)33)20-9-11-21(34-3)12-10-20/h4-14,17H,15-16H2,1-3H3,(H,29,32)