6-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 6-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-6-[[4-(4-sec-butylphenyl)sulfonylpiperazin-1-yl]methyl]pyrimidine-2,4-dione CAS Name: 6-[[4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]methyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-6-[[4-(4-sec-butylphenyl)sulfonylpiperazino]methyl]pyrimidine-2,4-quinone Formula: C21H30N4O4S MolecularWeight: 434.5523

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=O)N(C(=O)N3C)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=O)N(C(=O)N3C)C

InChI

InChI=1S/C21H30N4O4S/c1-5-16(2)17-6-8-19(9-7-17)30(28,29)25-12-10-24(11-13-25)15-18-14-20(26)23(4)21(27)22(18)3/h6-9,14,16H,5,10-13,15H2,1-4H3