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

Systemtic Name: 1,3-dimethyl-7-[[5-(3-oxidanylidenebutyl)-1,2,4-oxadiazol-3-yl]methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[[5-(3-oxobutyl)-1,2,4-oxadiazol-3-yl]methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[[5-(3-oxobutyl)-1,2,4-oxadiazol-3-yl]methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[[5-(3-oxobutyl)-1,2,4-oxadiazol-3-yl]methyl]purine-2,6-dione Traditional Name: 7-[[5-(3-ketobutyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-dimethyl-xanthine Formula: C14H16N6O4 MolecularWeight: 332.31464

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=NC(=NO1)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(=O)CCC1=NC(=NO1)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C14H16N6O4/c1-8(21)4-5-10-16-9(17-24-10)6-20-7-15-12-11(20)13(22)19(3)14(23)18(12)2/h7H,4-6H2,1-3H3