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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC3=C(N2C(C)C)C(=O)NC(=O)N3C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC3=C(N2C(C)C)C(=O)NC(=O)N3C

InChI

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