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

Systemtic Name: N-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-4-oxo-quinazoline-7-carboxamide CAS Name: N-cyclopentyl-2-[(2-fluorophenyl)methylthio]-3-(4-methoxyphenyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: N-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-4-oxoquinazoline-7-carboxamide Traditional Name: N-cyclopentyl-2-[(2-fluorobenzyl)thio]-4-keto-3-(4-methoxyphenyl)quinazoline-7-carboxamide Formula: C28H26FN3O3S MolecularWeight: 503.587743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4CCCC4)N=C2SCC5=CC=CC=C5F

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4CCCC4)N=C2SCC5=CC=CC=C5F

InChI

InChI=1S/C28H26FN3O3S/c1-35-22-13-11-21(12-14-22)32-27(34)23-15-10-18(26(33)30-20-7-3-4-8-20)16-25(23)31-28(32)36-17-19-6-2-5-9-24(19)29/h2,5-6,9-16,20H,3-4,7-8,17H2,1H3,(H,30,33)