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

Systemtic Name: 4-methyl-2-propan-2-yl-6-(pyridin-4-ylmethylsulfanyl)pyrimidine-5-carboxylic acid Openeye Name: 2-isopropyl-4-methyl-6-(4-pyridylmethylsulfanyl)pyrimidine-5-carboxylic acid CAS Name: 4-methyl-2-propan-2-yl-6-(pyridin-4-ylmethylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 4-methyl-2-propan-2-yl-6-(pyridin-4-ylmethylsulfanyl)pyrimidine-5-carboxylic acid Traditional Name: 2-isopropyl-4-methyl-6-(4-pyridylmethylthio)pyrimidine-5-carboxylic acid Formula: C15H17N3O2S MolecularWeight: 303.37938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O2S/c1-9(2)13-17-10(3)12(15(19)20)14(18-13)21-8-11-4-6-16-7-5-11/h4-7,9H,8H2,1-3H3,(H,19,20)