2-cyclopentyl-4-methyl-6-(3-phenylpropylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: 2-cyclopentyl-4-methyl-6-(3-phenylpropylsulfanyl)pyrimidine-5-carboxylate Openeye Name: 2-cyclopentyl-4-methyl-6-(3-phenylpropylsulfanyl)pyrimidine-5-carboxylate CAS Name: 2-cyclopentyl-4-methyl-6-(3-phenylpropylthio)-5-pyrimidinecarboxylate IUPAC Name: 2-cyclopentyl-4-methyl-6-(3-phenylpropylsulfanyl)pyrimidine-5-carboxylate Traditional Name: 2-cyclopentyl-4-methyl-6-(3-phenylpropylthio)pyrimidine-5-carboxylate Formula: C20H23N2O2S- MolecularWeight: 355.47382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CCCC2)SCCCC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CCCC2)SCCCC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C20H24N2O2S/c1-14-17(20(23)24)19(22-18(21-14)16-11-5-6-12-16)25-13-7-10-15-8-3-2-4-9-15/h2-4,8-9,16H,5-7,10-13H2,1H3,(H,23,24)/p-1