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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1N3CC[NH+](CC3)C)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)N1C2=C(N=C1N3CC[NH+](CC3)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H22N6O2/c1-9(2)20-10-11(18(4)14(22)16-12(10)21)15-13(20)19-7-5-17(3)6-8-19/h9H,5-8H2,1-4H3,(H,16,21,22)/p+1