ethyl 4-methyl-2-[[3-(5-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]quinoline-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-[[3-(5-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-[[3-(5-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[[3-(5-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[3-(5-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 2-[[[4-keto-3-(5-methyl-2-pyridyl)quinazolin-2-yl]thio]methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C28H24N4O3S MolecularWeight: 496.58016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NC4=CC=CC=C4C(=O)N3C5=NC=C(C=C5)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NC4=CC=CC=C4C(=O)N3C5=NC=C(C=C5)C)C

InChI

InChI=1S/C28H24N4O3S/c1-4-35-27(34)25-18(3)19-9-5-7-11-21(19)30-23(25)16-36-28-31-22-12-8-6-10-20(22)26(33)32(28)24-14-13-17(2)15-29-24/h5-15H,4,16H2,1-3H3