3-methyl-8-(4-methylpiperazin-4-ium-1-yl)-7-(2-methylprop-2-enyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-(4-methylpiperazin-4-ium-1-yl)-7-(2-methylprop-2-enyl)purine-2,6-dione Openeye Name: 3-methyl-7-(2-methylallyl)-8-(4-methylpiperazin-4-ium-1-yl)purine-2,6-dione CAS Name: 3-methyl-8-(4-methyl-1-piperazin-4-iumyl)-7-(2-methylprop-2-enyl)purine-2,6-dione IUPAC Name: 3-methyl-8-(4-methylpiperazin-4-ium-1-yl)-7-(2-methylprop-2-enyl)purine-2,6-dione Traditional Name: 3-methyl-7-(2-methylallyl)-8-(4-methylpiperazin-4-ium-1-yl)xanthine Formula: C15H23N6O2+ MolecularWeight: 319.38212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N6O2/c1-10(2)9-21-11-12(19(4)15(23)17-13(11)22)16-14(21)20-7-5-18(3)6-8-20/h1,5-9H2,2-4H3,(H,17,22,23)/p+1