4-(cyclohexylmethylsulfanyl)-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(cyclohexylmethylsulfanyl)-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(cyclohexylmethylsulfanyl)-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-(cyclohexylmethylthio)-2-cyclopropyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(cyclohexylmethylsulfanyl)-2-cyclopropyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-(cyclohexylmethylthio)-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CC2)SCC3CCCCC3)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SCC3CCCCC3)C(=O)O

InChI

InChI=1S/C16H22N2O2S/c1-10-13(16(19)20)15(18-14(17-10)12-7-8-12)21-9-11-5-3-2-4-6-11/h11-12H,2-9H2,1H3,(H,19,20)