3-methyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7H-purine-2,6-dione

Systemtic Name: 3-methyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7H-purine-2,6-dione Openeye Name: 3-methyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7H-purine-2,6-dione CAS Name: 3-methyl-8-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-7H-purine-2,6-dione IUPAC Name: 3-methyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7H-purine-2,6-dione Traditional Name: 3-methyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7H-purine-2,6-quinone Formula: C12H20N6O2+2 MolecularWeight: 280.3262

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=NC3=C(N2)C(=O)NC(=O)N3C

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=NC3=C(N2)C(=O)NC(=O)N3C

InChI

InChI=1S/C12H18N6O2/c1-16-3-5-18(6-4-16)7-8-13-9-10(14-8)17(2)12(20)15-11(9)19/h3-7H2,1-2H3,(H,13,14)(H,15,19,20)/p+2