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

Systemtic Name: 2-cyclopropyl-4-methyl-6-(phenylmethylsulfanyl)pyrimidine-5-carboxylic acid Openeye Name: 4-benzylsulfanyl-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 2-cyclopropyl-4-methyl-6-(phenylmethylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 4-benzylsulfanyl-2-cyclopropyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-(benzylthio)-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CC2)SCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C16H16N2O2S/c1-10-13(16(19)20)15(18-14(17-10)12-7-8-12)21-9-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,19,20)