1,3-dimethyl-7-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxidanyl-propyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1,3-dimethyl-xanthine Formula: C13H16N6O4 MolecularWeight: 320.30394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NO1)CC(CN2C=NC3=C2C(=O)N(C(=O)N3C)C)O

Isomeric SMILES

CC1=NC(=NO1)CC(CN2C=NC3=C2C(=O)N(C(=O)N3C)C)O

InChI

InChI=1S/C13H16N6O4/c1-7-15-9(16-23-7)4-8(20)5-19-6-14-11-10(19)12(21)18(3)13(22)17(11)2/h6,8,20H,4-5H2,1-3H3