3,7-dimethyl-8-(4-methylpiperazin-4-ium-1-yl)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-8-(4-methylpiperazin-4-ium-1-yl)purine-2,6-dione Openeye Name: 3,7-dimethyl-8-(4-methylpiperazin-4-ium-1-yl)purine-2,6-dione CAS Name: 3,7-dimethyl-8-(4-methyl-1-piperazin-4-iumyl)purine-2,6-dione IUPAC Name: 3,7-dimethyl-8-(4-methylpiperazin-4-ium-1-yl)purine-2,6-dione Traditional Name: 3,7-dimethyl-8-(4-methylpiperazin-4-ium-1-yl)xanthine Formula: C12H19N6O2+ MolecularWeight: 279.31826

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=C(N2C)C(=O)NC(=O)N3C

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=C(N2C)C(=O)NC(=O)N3C

InChI

InChI=1S/C12H18N6O2/c1-15-4-6-18(7-5-15)11-13-9-8(16(11)2)10(19)14-12(20)17(9)3/h4-7H2,1-3H3,(H,14,19,20)/p+1