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

Systemtic Name: N-cyclopentyl-3-(3-fluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N-cyclopentyl-3-(3-fluorophenyl)-2-(o-tolylmethylsulfanyl)-4-oxo-quinazoline-7-carboxamide CAS Name: N-cyclopentyl-3-(3-fluorophenyl)-2-[(2-methylphenyl)methylthio]-4-oxo-7-quinazolinecarboxamide IUPAC Name: N-cyclopentyl-3-(3-fluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide Traditional Name: N-cyclopentyl-3-(3-fluorophenyl)-4-keto-2-[(2-methylbenzyl)thio]quinazoline-7-carboxamide Formula: C28H26FN3O2S MolecularWeight: 487.588343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=C(C=CC(=C3)C(=O)NC4CCCC4)C(=O)N2C5=CC(=CC=C5)F

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=C(C=CC(=C3)C(=O)NC4CCCC4)C(=O)N2C5=CC(=CC=C5)F

InChI

InChI=1S/C28H26FN3O2S/c1-18-7-2-3-8-20(18)17-35-28-31-25-15-19(26(33)30-22-10-4-5-11-22)13-14-24(25)27(34)32(28)23-12-6-9-21(29)16-23/h2-3,6-9,12-16,22H,4-5,10-11,17H2,1H3,(H,30,33)