1,3-dimethyl-7-[(4-methylsulfonylphenyl)methyl]-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(4-methylsulfonylphenyl)methyl]-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[(4-methylsulfonylphenyl)methyl]-8-piperazin-1-yl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(4-methylsulfonylphenyl)methyl]-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(4-methylsulfonylphenyl)methyl]-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-(4-mesylbenzyl)-1,3-dimethyl-8-piperazino-xanthine Formula: C19H24N6O4S MolecularWeight: 432.49666

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C19H24N6O4S/c1-22-16-15(17(26)23(2)19(22)27)25(18(21-16)24-10-8-20-9-11-24)12-13-4-6-14(7-5-13)30(3,28)29/h4-7,20H,8-12H2,1-3H3