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

Systemtic Name: 1,3-dimethyl-7-[(3R)-4-[(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)amino]-3-oxidanyl-butyl]purine-2,6-dione Openeye Name: 7-[(3R)-3-hydroxy-4-[(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)amino]butyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(3R)-3-hydroxy-4-[(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)amino]butyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(3R)-3-hydroxy-4-[(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)amino]butyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(3R)-3-hydroxy-4-[(1-methyl-1-pyrrolin-1-ium-2-yl)amino]butyl]-1,3-dimethyl-xanthine Formula: C16H25N6O3+ MolecularWeight: 349.4081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N6O3/c1-19-7-4-5-12(19)17-9-11(23)6-8-22-10-18-14-13(22)15(24)21(3)16(25)20(14)2/h10-11,23H,4-9H2,1-3H3/p+1/t11-/m1/s1