3-methyl-7-(2-methylpropyl)-8-piperazin-4-ium-1-yl-purine-2,6-dione

Systemtic Name: 3-methyl-7-(2-methylpropyl)-8-piperazin-4-ium-1-yl-purine-2,6-dione Openeye Name: 7-isobutyl-3-methyl-8-piperazin-4-ium-1-yl-purine-2,6-dione CAS Name: 3-methyl-7-(2-methylpropyl)-8-(1-piperazin-4-iumyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(2-methylpropyl)-8-piperazin-4-ium-1-ylpurine-2,6-dione Traditional Name: 7-isobutyl-3-methyl-8-piperazin-4-ium-1-yl-xanthine Formula: C14H23N6O2+ MolecularWeight: 307.37142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1N3CC[NH2+]CC3)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CN1C2=C(N=C1N3CC[NH2+]CC3)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H22N6O2/c1-9(2)8-20-10-11(18(3)14(22)17-12(10)21)16-13(20)19-6-4-15-5-7-19/h9,15H,4-8H2,1-3H3,(H,17,21,22)/p+1