1,3-dimethyl-7-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]purine-2,6-dione Traditional Name: 7-[2-keto-2-(4-tosylpiperazino)ethyl]-1,3-dimethyl-xanthine Formula: C20H24N6O5S MolecularWeight: 460.50676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C20H24N6O5S/c1-14-4-6-15(7-5-14)32(30,31)26-10-8-24(9-11-26)16(27)12-25-13-21-18-17(25)19(28)23(3)20(29)22(18)2/h4-7,13H,8-12H2,1-3H3