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

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

Systemtic Name:1,3-dimethyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7H-purine-2,6-dione
Openeye Name:1,3-dimethyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7H-purine-2,6-dione
CAS Name:1,3-dimethyl-8-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-7H-purine-2,6-dione
IUPAC Name:1,3-dimethyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7H-purine-2,6-dione
Traditional Name:1,3-dimethyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7H-purine-2,6-quinone
Formula: C13H22N6O2+2
MolecularWeight: 294.35278
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

C[NH+]1CC[NH+](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+2


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