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

Systemtic Name: 1,3-dimethyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(4-methyl-1-piperazin-4-iumyl)methyl]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7H-purine-2,6-quinone Formula: C13H21N6O2+ MolecularWeight: 293.34484

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=NC3=C(N2)C(=O)N(C(=O)N3C)C

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=NC3=C(N2)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C13H20N6O2/c1-16-4-6-19(7-5-16)8-9-14-10-11(15-9)17(2)13(21)18(3)12(10)20/h4-8H2,1-3H3,(H,14,15)/p+1