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