ethyl 6-[[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[4-[(3-methyl-8-quinolyl)sulfonyl]piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[4-[(3-methyl-8-quinolinyl)sulfonyl]-1-piperazinyl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[[4-[(3-methyl-8-quinolyl)sulfonyl]piperazino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H27N5O5S MolecularWeight: 473.54528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC4=CC(=CN=C43)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC4=CC(=CN=C43)C

InChI

InChI=1S/C22H27N5O5S/c1-3-32-21(28)17-13-24-22(29)25-18(17)14-26-7-9-27(10-8-26)33(30,31)19-6-4-5-16-11-15(2)12-23-20(16)19/h4-6,11-12H,3,7-10,13-14H2,1-2H3,(H2,24,25,29)