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

Systemtic Name: N-cyclopentyl-2-[(3-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N-cyclopentyl-2-[(3-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-4-oxo-quinazoline-7-carboxamide CAS Name: N-cyclopentyl-2-[(3-fluorophenyl)methylthio]-3-(4-methoxyphenyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: N-cyclopentyl-2-[(3-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-4-oxoquinazoline-7-carboxamide Traditional Name: N-cyclopentyl-2-[(3-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=C5)F

Isomeric SMILES

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

InChI

InChI=1S/C28H26FN3O3S/c1-35-23-12-10-22(11-13-23)32-27(34)24-14-9-19(26(33)30-21-7-2-3-8-21)16-25(24)31-28(32)36-17-18-5-4-6-20(29)15-18/h4-6,9-16,21H,2-3,7-8,17H2,1H3,(H,30,33)