2-cyclopentyl-4-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: 2-cyclopentyl-4-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: 2-cyclopentyl-4-methyl-6-(m-tolylmethylsulfanyl)pyrimidine-5-carboxylate CAS Name: 2-cyclopentyl-4-methyl-6-[(3-methylphenyl)methylthio]-5-pyrimidinecarboxylate IUPAC Name: 2-cyclopentyl-4-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 2-cyclopentyl-4-methyl-6-[(3-methylbenzyl)thio]pyrimidine-5-carboxylate Formula: C19H21N2O2S- MolecularWeight: 341.44724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC(=NC(=C2C(=O)[O-])C)C3CCCC3

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC(=NC(=C2C(=O)[O-])C)C3CCCC3

InChI

InChI=1S/C19H22N2O2S/c1-12-6-5-7-14(10-12)11-24-18-16(19(22)23)13(2)20-17(21-18)15-8-3-4-9-15/h5-7,10,15H,3-4,8-9,11H2,1-2H3,(H,22,23)/p-1