1,3-dimethyl-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-7-propan-2-yl-purine-2,6-dione Openeye Name: 7-isopropyl-1,3-dimethyl-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-8-[[(2R)-2-methyl-1-piperidin-1-iumyl]methyl]-7-propan-2-ylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-7-propan-2-ylpurine-2,6-dione Traditional Name: 7-isopropyl-1,3-dimethyl-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]xanthine Formula: C17H28N5O2+ MolecularWeight: 334.43652

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

C[C@@H]1CCCC[NH+]1CC2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C17H27N5O2/c1-11(2)22-13(10-21-9-7-6-8-12(21)3)18-15-14(22)16(23)20(5)17(24)19(15)4/h11-12H,6-10H2,1-5H3/p+1/t12-/m1/s1