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

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

Systemtic Name:1,3,7-trimethyl-8-(4-methylpiperazin-4-ium-1-yl)purine-2,6-dione
Openeye Name:1,3,7-trimethyl-8-(4-methylpiperazin-4-ium-1-yl)purine-2,6-dione
CAS Name:1,3,7-trimethyl-8-(4-methyl-1-piperazin-4-iumyl)purine-2,6-dione
IUPAC Name:1,3,7-trimethyl-8-(4-methylpiperazin-4-ium-1-yl)purine-2,6-dione
Traditional Name:1,3,7-trimethyl-8-(4-methylpiperazin-4-ium-1-yl)xanthine
Formula: C13H21N6O2+
MolecularWeight: 293.34484
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C13H20N6O2/c1-15-5-7-19(8-6-15)12-14-10-9(16(12)2)11(20)18(4)13(21)17(10)3/h5-8H2,1-4H3/p+1


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