3-(3,5-dimethoxyphenyl)-2-[(3-fluorophenyl)methylsulfanyl]-N-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: 3-(3,5-dimethoxyphenyl)-2-[(3-fluorophenyl)methylsulfanyl]-N-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 3-(3,5-dimethoxyphenyl)-2-[(3-fluorophenyl)methylsulfanyl]-N-isobutyl-4-oxo-quinazoline-7-carboxamide CAS Name: 3-(3,5-dimethoxyphenyl)-2-[(3-fluorophenyl)methylthio]-N-(2-methylpropyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 3-(3,5-dimethoxyphenyl)-2-[(3-fluorophenyl)methylsulfanyl]-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 3-(3,5-dimethoxyphenyl)-2-[(3-fluorobenzyl)thio]-N-isobutyl-4-keto-quinazoline-7-carboxamide Formula: C28H28FN3O4S MolecularWeight: 521.603023

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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=C3)F)C4=CC(=CC(=C4)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H28FN3O4S/c1-17(2)15-30-26(33)19-8-9-24-25(11-19)31-28(37-16-18-6-5-7-20(29)10-18)32(27(24)34)21-12-22(35-3)14-23(13-21)36-4/h5-14,17H,15-16H2,1-4H3,(H,30,33)