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

Systemtic Name: 4-methyl-6-(phenylmethylsulfanyl)-2-propan-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 4-benzylsulfanyl-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-methyl-6-(phenylmethylthio)-2-propan-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-benzylsulfanyl-6-methyl-2-propan-2-ylpyrimidine-5-carboxylic acid Traditional Name: 4-(benzylthio)-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C(C)C)SCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C(C)C)SCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H18N2O2S/c1-10(2)14-17-11(3)13(16(19)20)15(18-14)21-9-12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,19,20)