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

Systemtic Name: ethyl 4-(furan-2-yl)-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]-4-(2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-4-(2-furanyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(4-besylpiperazino)methyl]-4-(2-furyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H26N4O6S MolecularWeight: 474.53004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H26N4O6S/c1-2-31-21(27)19-17(23-22(28)24-20(19)18-9-6-14-32-18)15-25-10-12-26(13-11-25)33(29,30)16-7-4-3-5-8-16/h3-9,14,20H,2,10-13,15H2,1H3,(H2,23,24,28)