4-(cyclohexylmethylamino)-2-methylsulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(cyclohexylmethylamino)-2-methylsulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(cyclohexylmethylamino)-2-methylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-(cyclohexylmethylamino)-2-(methylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 4-(cyclohexylmethylamino)-2-methylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-(cyclohexylmethylamino)-2-(methylthio)pyrimidine-5-carboxylic acid Formula: C13H19N3O2S MolecularWeight: 281.37386

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)NCC2CCCCC2)C(=O)O

Isomeric SMILES

CSC1=NC=C(C(=N1)NCC2CCCCC2)C(=O)O

InChI

InChI=1S/C13H19N3O2S/c1-19-13-15-8-10(12(17)18)11(16-13)14-7-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,17,18)(H,14,15,16)