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

Systemtic Name: 1,3-dimethyl-9-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-9-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-9-[(4-methyl-1-piperazinyl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-9-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-9-[(4-methylpiperazino)methyl]xanthine Formula: C13H20N6O2 MolecularWeight: 292.3369

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CN2C=NC3=C2N(C(=O)N(C3=O)C)C

Isomeric SMILES

CN1CCN(CC1)CN2C=NC3=C2N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C13H20N6O2/c1-15-4-6-18(7-5-15)9-19-8-14-10-11(19)16(2)13(21)17(3)12(10)20/h8H,4-7,9H2,1-3H3