2-cyclopentyl-4-methyl-6-(phenylmethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: 2-cyclopentyl-4-methyl-6-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: 4-benzylsulfanyl-2-cyclopentyl-6-methyl-pyrimidine-5-carboxylate CAS Name: 2-cyclopentyl-4-methyl-6-(phenylmethylthio)-5-pyrimidinecarboxylate IUPAC Name: 4-benzylsulfanyl-2-cyclopentyl-6-methylpyrimidine-5-carboxylate Traditional Name: 4-(benzylthio)-2-cyclopentyl-6-methyl-pyrimidine-5-carboxylate Formula: C18H19N2O2S- MolecularWeight: 327.42066

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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)/p-1