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

Systemtic Name: ethyl 2-oxidanylidene-6-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(4-besylpiperazino)methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H24N4O5S MolecularWeight: 408.47196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O5S/c1-2-27-17(23)15-12-19-18(24)20-16(15)13-21-8-10-22(11-9-21)28(25,26)14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3,(H2,19,20,24)