4-(3,3-dimethylbutylsulfanyl)-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(3,3-dimethylbutylsulfanyl)-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 4-(3,3-dimethylbutylsulfanyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 4-(3,3-dimethylbutylthio)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 4-(3,3-dimethylbutylsulfanyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 4-(3,3-dimethylbutylthio)-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid Formula: C12H18N2O3S MolecularWeight: 270.34792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCCC(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCCC(C)(C)C)C(=O)O

InChI

InChI=1S/C12H18N2O3S/c1-7-8(10(15)16)9(14-11(17)13-7)18-6-5-12(2,3)4/h5-6H2,1-4H3,(H,15,16)(H,13,14,17)