1,3-dimethyl-7-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propyl]purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propyl]-1,3-dimethyl-xanthine Formula: C14H22N5O3+ MolecularWeight: 308.35618

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(C[NH+]3CCCC3)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C[C@H](C[NH+]3CCCC3)O

InChI

InChI=1S/C14H21N5O3/c1-16-12-11(13(21)17(2)14(16)22)19(9-15-12)8-10(20)7-18-5-3-4-6-18/h9-10,20H,3-8H2,1-2H3/p+1/t10-/m0/s1