1,3-dimethyl-7-[(2R)-3-[(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)amino]-2-oxidanyl-propyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(2R)-3-[(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)amino]-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-[(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)amino]propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-[(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)amino]propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-[(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)amino]propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-[(1-methyl-1-pyrrolin-1-ium-2-yl)amino]propyl]-1,3-dimethyl-xanthine Formula: C15H23N6O3+ MolecularWeight: 335.38152

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CNC3=[N+](CCC3)C)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C[C@@H](CNC3=[N+](CCC3)C)O

InChI

InChI=1S/C15H22N6O3/c1-18-6-4-5-11(18)16-7-10(22)8-21-9-17-13-12(21)14(23)20(3)15(24)19(13)2/h9-10,22H,4-8H2,1-3H3/p+1/t10-/m1/s1