ethyl 6-[[4-(cyclopropylcarbamoyl)quinolin-2-yl]sulfanylmethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[4-(cyclopropylcarbamoyl)quinolin-2-yl]sulfanylmethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[4-(cyclopropylcarbamoyl)-2-quinolyl]sulfanylmethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[[4-[(cyclopropylamino)-oxomethyl]-2-quinolinyl]thio]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-(cyclopropylcarbamoyl)quinolin-2-yl]sulfanylmethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[[4-(cyclopropylcarbamoyl)-2-quinolyl]thio]methyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4)C(=O)OCC

Isomeric SMILES

CCC1C(=C(NC(=O)N1)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4)C(=O)OCC

InChI

InChI=1S/C23H26N4O4S/c1-3-16-20(22(29)31-4-2)18(27-23(30)26-16)12-32-19-11-15(21(28)24-13-9-10-13)14-7-5-6-8-17(14)25-19/h5-8,11,13,16H,3-4,9-10,12H2,1-2H3,(H,24,28)(H2,26,27,30)