4-methyl-2-(3-methylphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyrimidine-5-carboxylic acid

Systemtic Name: 4-methyl-2-(3-methylphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyrimidine-5-carboxylic acid Openeye Name: 4-methyl-2-(m-tolyl)-6-[2-(1-piperidyl)ethylsulfanyl]pyrimidine-5-carboxylic acid CAS Name: 4-methyl-2-(3-methylphenyl)-6-[2-(1-piperidinyl)ethylthio]-5-pyrimidinecarboxylic acid IUPAC Name: 4-methyl-2-(3-methylphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyrimidine-5-carboxylic acid Traditional Name: 4-methyl-2-(m-tolyl)-6-(2-piperidinoethylthio)pyrimidine-5-carboxylic acid Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=C(C(=N2)SCCN3CCCCC3)C(=O)O)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=C(C(=N2)SCCN3CCCCC3)C(=O)O)C

InChI

InChI=1S/C20H25N3O2S/c1-14-7-6-8-16(13-14)18-21-15(2)17(20(24)25)19(22-18)26-12-11-23-9-4-3-5-10-23/h6-8,13H,3-5,9-12H2,1-2H3,(H,24,25)