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

Systemtic Name: ethyl 4-methyl-2-phenyl-6-(3-phenylpropylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-methyl-2-phenyl-6-(3-phenylpropylsulfanyl)pyrimidine-5-carboxylate CAS Name: 4-methyl-2-phenyl-6-(3-phenylpropylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-phenyl-6-(3-phenylpropylsulfanyl)pyrimidine-5-carboxylate Traditional Name: 4-methyl-2-phenyl-6-(3-phenylpropylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C23H24N2O2S MolecularWeight: 392.51386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1SCCCC2=CC=CC=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1SCCCC2=CC=CC=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C23H24N2O2S/c1-3-27-23(26)20-17(2)24-21(19-14-8-5-9-15-19)25-22(20)28-16-10-13-18-11-6-4-7-12-18/h4-9,11-12,14-15H,3,10,13,16H2,1-2H3