1,3-dimethyl-7-[(2S)-3-(2-methylbenzimidazol-1-yl)-2-oxidanyl-propyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(2S)-3-(2-methylbenzimidazol-1-yl)-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-3-(2-methyl-1-benzimidazolyl)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-1,3-dimethyl-xanthine Formula: C18H20N6O3 MolecularWeight: 368.3898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CC(CN3C=NC4=C3C(=O)N(C(=O)N4C)C)O

Isomeric SMILES

CC1=NC2=CC=CC=C2N1C[C@H](CN3C=NC4=C3C(=O)N(C(=O)N4C)C)O

InChI

InChI=1S/C18H20N6O3/c1-11-20-13-6-4-5-7-14(13)24(11)9-12(25)8-23-10-19-16-15(23)17(26)22(3)18(27)21(16)2/h4-7,10,12,25H,8-9H2,1-3H3/t12-/m0/s1