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

Systemtic Name: 2-cyclopropyl-4-methyl-6-[(4-methylphenyl)methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: 2-cyclopropyl-4-methyl-6-(p-tolylmethylsulfanyl)pyrimidine-5-carboxylate CAS Name: 2-cyclopropyl-4-methyl-6-[(4-methylphenyl)methylthio]-5-pyrimidinecarboxylate IUPAC Name: 2-cyclopropyl-4-methyl-6-[(4-methylphenyl)methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 2-cyclopropyl-4-methyl-6-[(4-methylbenzyl)thio]pyrimidine-5-carboxylate Formula: C17H17N2O2S- MolecularWeight: 313.39408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC(=NC(=C2C(=O)[O-])C)C3CC3

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC(=NC(=C2C(=O)[O-])C)C3CC3

InChI

InChI=1S/C17H18N2O2S/c1-10-3-5-12(6-4-10)9-22-16-14(17(20)21)11(2)18-15(19-16)13-7-8-13/h3-6,13H,7-9H2,1-2H3,(H,20,21)/p-1