1,3-dimethyl-9-[(4-methylsulfonylpiperazin-1-yl)methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-9-[(4-methylsulfonylpiperazin-1-yl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-9-[(4-methylsulfonylpiperazin-1-yl)methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-9-[(4-methylsulfonyl-1-piperazinyl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-9-[(4-methylsulfonylpiperazin-1-yl)methyl]purine-2,6-dione Traditional Name: 9-[(4-mesylpiperazino)methyl]-1,3-dimethyl-xanthine Formula: C13H20N6O4S MolecularWeight: 356.4007

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=CN2CN3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=CN2CN3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C13H20N6O4S/c1-15-11-10(12(20)16(2)13(15)21)14-8-18(11)9-17-4-6-19(7-5-17)24(3,22)23/h8H,4-7,9H2,1-3H3