ethyl 4-methyl-6-phenacylsulfanyl-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-methyl-6-phenacylsulfanyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-methyl-6-phenacylsulfanyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-(phenacylthio)-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-6-phenacylsulfanyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-methyl-6-(phenacylthio)-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1SCC(=O)C2=CC=CC=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1SCC(=O)C2=CC=CC=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C22H20N2O3S/c1-3-27-22(26)19-15(2)23-20(17-12-8-5-9-13-17)24-21(19)28-14-18(25)16-10-6-4-7-11-16/h4-13H,3,14H2,1-2H3