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

Systemtic Name: ethyl 6-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-oxo-6-[[4-(4-sec-butylphenyl)sulfonylpiperazin-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[[4-(4-sec-butylphenyl)sulfonylpiperazino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H32N4O5S MolecularWeight: 464.57828

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C(CNC(=O)N3)C(=O)OCC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C(CNC(=O)N3)C(=O)OCC

InChI

InChI=1S/C22H32N4O5S/c1-4-16(3)17-6-8-18(9-7-17)32(29,30)26-12-10-25(11-13-26)15-20-19(21(27)31-5-2)14-23-22(28)24-20/h6-9,16H,4-5,10-15H2,1-3H3,(H2,23,24,28)