4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methylsulfanyl]-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methylsulfanyl]-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methylthio]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methylthio]-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid Formula: C12H13ClN4O3S MolecularWeight: 328.77462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCC2=C(N(N=C2C)C)Cl)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCC2=C(N(N=C2C)C)Cl)C(=O)O

InChI

InChI=1S/C12H13ClN4O3S/c1-5-7(9(13)17(3)16-5)4-21-10-8(11(18)19)6(2)14-12(20)15-10/h4H2,1-3H3,(H,18,19)(H,14,15,20)