4-[(5-chloranyl-1,2,3-thiadiazol-4-yl)methylsulfanyl]-6-methyl-2-propan-2-yl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[(5-chloranyl-1,2,3-thiadiazol-4-yl)methylsulfanyl]-6-methyl-2-propan-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 4-[(5-chlorothiadiazol-4-yl)methylsulfanyl]-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(5-chloro-4-thiadiazolyl)methylthio]-6-methyl-2-propan-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(5-chlorothiadiazol-4-yl)methylsulfanyl]-6-methyl-2-propan-2-ylpyrimidine-5-carboxylic acid Traditional Name: 4-[(5-chlorothiadiazol-4-yl)methylthio]-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C12H13ClN4O2S2 MolecularWeight: 344.84022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C(C)C)SCC2=C(SN=N2)Cl)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C(C)C)SCC2=C(SN=N2)Cl)C(=O)O

InChI

InChI=1S/C12H13ClN4O2S2/c1-5(2)10-14-6(3)8(12(18)19)11(15-10)20-4-7-9(13)21-17-16-7/h5H,4H2,1-3H3,(H,18,19)