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

Systemtic Name: N-cyclopentyl-3-(3,5-dimethoxyphenyl)-2-[(3-fluorophenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N-cyclopentyl-3-(3,5-dimethoxyphenyl)-2-[(3-fluorophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxamide CAS Name: N-cyclopentyl-3-(3,5-dimethoxyphenyl)-2-[(3-fluorophenyl)methylthio]-4-oxo-7-quinazolinecarboxamide IUPAC Name: N-cyclopentyl-3-(3,5-dimethoxyphenyl)-2-[(3-fluorophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide Traditional Name: N-cyclopentyl-3-(3,5-dimethoxyphenyl)-2-[(3-fluorobenzyl)thio]-4-keto-quinazoline-7-carboxamide Formula: C29H28FN3O4S MolecularWeight: 533.613723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4CCCC4)N=C2SCC5=CC(=CC=C5)F)OC

Isomeric SMILES

COC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4CCCC4)N=C2SCC5=CC(=CC=C5)F)OC

InChI

InChI=1S/C29H28FN3O4S/c1-36-23-14-22(15-24(16-23)37-2)33-28(35)25-11-10-19(27(34)31-21-8-3-4-9-21)13-26(25)32-29(33)38-17-18-6-5-7-20(30)12-18/h5-7,10-16,21H,3-4,8-9,17H2,1-2H3,(H,31,34)