9-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 9-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 9-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 9-[[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 9-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 9-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidino]methyl]-1,3-dimethyl-xanthine Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=CN2CN3CCCC3C4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=CN2CN3CCC[C@@H]3C4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C20H25N5O4/c1-22-18-17(19(26)23(2)20(22)27)21-11-25(18)12-24-9-5-6-15(24)14-10-13(28-3)7-8-16(14)29-4/h7-8,10-11,15H,5-6,9,12H2,1-4H3/t15-/m1/s1