1-[[5-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]pyrimidine-2,4-dione

Systemtic Name: 1-[[5-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]pyrimidine-2,4-dione Openeye Name: 1-[[5-(3,3-dimethyl-2-oxo-butyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]pyrimidine-2,4-dione CAS Name: 1-[[5-[(3,3-dimethyl-2-oxobutyl)thio]-1,3,4-oxadiazol-2-yl]methyl]pyrimidine-2,4-dione IUPAC Name: 1-[[5-(3,3-dimethyl-2-oxobutyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]pyrimidine-2,4-dione Traditional Name: 1-[[5-[(2-keto-3,3-dimethyl-butyl)thio]-1,3,4-oxadiazol-2-yl]methyl]pyrimidine-2,4-quinone Formula: C13H16N4O4S MolecularWeight: 324.35554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=C(O1)CN2C=CC(=O)NC2=O

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=C(O1)CN2C=CC(=O)NC2=O

InChI

InChI=1S/C13H16N4O4S/c1-13(2,3)8(18)7-22-12-16-15-10(21-12)6-17-5-4-9(19)14-11(17)20/h4-5H,6-7H2,1-3H3,(H,14,19,20)