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

Systemtic Name: 2-cyclopropyl-4-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: 2-cyclopropyl-4-methyl-6-(m-tolylmethylsulfanyl)pyrimidine-5-carboxylate CAS Name: 2-cyclopropyl-4-methyl-6-[(3-methylphenyl)methylthio]-5-pyrimidinecarboxylate IUPAC Name: 2-cyclopropyl-4-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 2-cyclopropyl-4-methyl-6-[(3-methylbenzyl)thio]pyrimidine-5-carboxylate Formula: C17H17N2O2S- MolecularWeight: 313.39408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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