3-methyl-8-piperazin-4-ium-1-yl-7-propyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-piperazin-4-ium-1-yl-7-propyl-purine-2,6-dione Openeye Name: 3-methyl-8-piperazin-4-ium-1-yl-7-propyl-purine-2,6-dione CAS Name: 3-methyl-8-(1-piperazin-4-iumyl)-7-propylpurine-2,6-dione IUPAC Name: 3-methyl-8-piperazin-4-ium-1-yl-7-propylpurine-2,6-dione Traditional Name: 3-methyl-8-piperazin-4-ium-1-yl-7-propyl-xanthine Formula: C13H21N6O2+ MolecularWeight: 293.34484

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1N3CC[NH2+]CC3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1N3CC[NH2+]CC3)N(C(=O)NC2=O)C

InChI

InChI=1S/C13H20N6O2/c1-3-6-19-9-10(17(2)13(21)16-11(9)20)15-12(19)18-7-4-14-5-8-18/h14H,3-8H2,1-2H3,(H,16,20,21)/p+1