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

Systemtic Name: 3-methyl-7-pentyl-8-piperazin-4-ium-1-yl-purine-2,6-dione Openeye Name: 3-methyl-7-pentyl-8-piperazin-4-ium-1-yl-purine-2,6-dione CAS Name: 3-methyl-7-pentyl-8-(1-piperazin-4-iumyl)purine-2,6-dione IUPAC Name: 3-methyl-7-pentyl-8-piperazin-4-ium-1-ylpurine-2,6-dione Traditional Name: 7-amyl-3-methyl-8-piperazin-4-ium-1-yl-xanthine Formula: C15H25N6O2+ MolecularWeight: 321.398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1N3CC[NH2+]CC3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1N3CC[NH2+]CC3)N(C(=O)NC2=O)C

InChI

InChI=1S/C15H24N6O2/c1-3-4-5-8-21-11-12(19(2)15(23)18-13(11)22)17-14(21)20-9-6-16-7-10-20/h16H,3-10H2,1-2H3,(H,18,22,23)/p+1