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

Systemtic Name: 2-cyclopentyl-4-methyl-6-(phenylmethylsulfanyl)pyrimidine-5-carboxylic acid Openeye Name: 4-benzylsulfanyl-2-cyclopentyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 2-cyclopentyl-4-methyl-6-(phenylmethylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 4-benzylsulfanyl-2-cyclopentyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-(benzylthio)-2-cyclopentyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CCCC2)SCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CCCC2)SCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H20N2O2S/c1-12-15(18(21)22)17(23-11-13-7-3-2-4-8-13)20-16(19-12)14-9-5-6-10-14/h2-4,7-8,14H,5-6,9-11H2,1H3,(H,21,22)