N-[(1-methylimidazol-2-yl)-phenyl-methyl]-2-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(1-methylimidazol-2-yl)-phenyl-methyl]-2-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[(1-methylimidazol-2-yl)-phenyl-methyl]-2-[3-(4-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(1-methyl-2-imidazolyl)-phenylmethyl]-2-[[3-(4-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-[3-(4-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-(4-methyl-2-pyridyl)quinazolin-2-yl]thio]-N-[(1-methylimidazol-2-yl)-phenyl-methyl]acetamide Formula: C27H24N6O2S MolecularWeight: 496.58346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(C4=CC=CC=C4)C5=NC=CN5C

Isomeric SMILES

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(C4=CC=CC=C4)C5=NC=CN5C

InChI

InChI=1S/C27H24N6O2S/c1-18-12-13-28-22(16-18)33-26(35)20-10-6-7-11-21(20)30-27(33)36-17-23(34)31-24(19-8-4-3-5-9-19)25-29-14-15-32(25)2/h3-16,24H,17H2,1-2H3,(H,31,34)