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

Systemtic Name: 1,3-dimethyl-7-[3-(5-oxidanylidene-2H-1,2,4-oxadiazol-3-yl)propyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[3-(5-oxo-2H-1,2,4-oxadiazol-3-yl)propyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[3-(5-oxo-2H-1,2,4-oxadiazol-3-yl)propyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[3-(5-oxo-2H-1,2,4-oxadiazol-3-yl)propyl]purine-2,6-dione Traditional Name: 7-[3-(5-keto-2H-1,2,4-oxadiazol-3-yl)propyl]-1,3-dimethyl-xanthine Formula: C12H14N6O4 MolecularWeight: 306.27736

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC3=NC(=O)ON3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC3=NC(=O)ON3

InChI

InChI=1S/C12H14N6O4/c1-16-9-8(10(19)17(2)12(16)21)18(6-13-9)5-3-4-7-14-11(20)22-15-7/h6H,3-5H2,1-2H3,(H,14,15,20)