3-butyl-7-ethyl-8-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]purine-2,6-dione

Systemtic Name: 3-butyl-7-ethyl-8-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]purine-2,6-dione Openeye Name: 3-butyl-7-ethyl-8-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]purine-2,6-dione CAS Name: 3-butyl-7-ethyl-8-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-ethyl-8-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]purine-2,6-dione Traditional Name: 3-butyl-7-ethyl-8-[(4-tosylpiperazino)methyl]xanthine Formula: C23H32N6O4S MolecularWeight: 488.60298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C)CC

InChI

InChI=1S/C23H32N6O4S/c1-4-6-11-29-21-20(22(30)25-23(29)31)28(5-2)19(24-21)16-26-12-14-27(15-13-26)34(32,33)18-9-7-17(3)8-10-18/h7-10H,4-6,11-16H2,1-3H3,(H,25,30,31)