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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1N3CC[NH+](CC3)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N1C2=C(N=C1N3CC[NH+](CC3)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C15H24N6O2/c1-10(2)21-11-12(18(4)15(23)19(5)13(11)22)16-14(21)20-8-6-17(3)7-9-20/h10H,6-9H2,1-5H3/p+1