N-cyclopropyl-2-(4-fluorophenyl)-2-[3-(3-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-cyclopropyl-2-(4-fluorophenyl)-2-[3-(3-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-cyclopropyl-2-(4-fluorophenyl)-2-[3-(3-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-cyclopropyl-2-(4-fluorophenyl)-2-[[3-(3-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-cyclopropyl-2-(4-fluorophenyl)-2-[3-(3-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-cyclopropyl-2-(4-fluorophenyl)-2-[[4-keto-3-(3-methyl-2-pyridyl)quinazolin-2-yl]thio]acetamide Formula: C25H21FN4O2S MolecularWeight: 460.523243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C4=CC=C(C=C4)F)C(=O)NC5CC5

Isomeric SMILES

CC1=C(N=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C4=CC=C(C=C4)F)C(=O)NC5CC5

InChI

InChI=1S/C25H21FN4O2S/c1-15-5-4-14-27-22(15)30-24(32)19-6-2-3-7-20(19)29-25(30)33-21(23(31)28-18-12-13-18)16-8-10-17(26)11-9-16/h2-11,14,18,21H,12-13H2,1H3,(H,28,31)