1,3-dimethyl-7-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]xanthine Formula: C14H24N6O2+2 MolecularWeight: 308.37936

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C14H22N6O2/c1-16-4-6-19(7-5-16)8-9-20-10-15-12-11(20)13(21)18(3)14(22)17(12)2/h10H,4-9H2,1-3H3/p+2