2-cyclopentyl-4-methyl-6-phenethylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: 2-cyclopentyl-4-methyl-6-phenethylsulfanyl-pyrimidine-5-carboxylate Openeye Name: 2-cyclopentyl-4-methyl-6-phenethylsulfanyl-pyrimidine-5-carboxylate CAS Name: 2-cyclopentyl-4-methyl-6-(phenethylthio)-5-pyrimidinecarboxylate IUPAC Name: 2-cyclopentyl-4-methyl-6-phenethylsulfanylpyrimidine-5-carboxylate Traditional Name: 2-cyclopentyl-4-methyl-6-(phenethylthio)pyrimidine-5-carboxylate Formula: C19H21N2O2S- MolecularWeight: 341.44724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CCCC2)SCCC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CCCC2)SCCC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C19H22N2O2S/c1-13-16(19(22)23)18(21-17(20-13)15-9-5-6-10-15)24-12-11-14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-12H2,1H3,(H,22,23)/p-1