ethyl (4S)-2-butylsulfanyl-3-ethanoyl-6-methyl-4-phenyl-4H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-2-butylsulfanyl-3-ethanoyl-6-methyl-4-phenyl-4H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-3-acetyl-2-butylsulfanyl-6-methyl-4-phenyl-4H-pyrimidine-5-carboxylate CAS Name: (4S)-3-acetyl-2-(butylthio)-6-methyl-4-phenyl-4H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-3-acetyl-2-butylsulfanyl-6-methyl-4-phenyl-4H-pyrimidine-5-carboxylate Traditional Name: (4S)-3-acetyl-2-(butylthio)-6-methyl-4-phenyl-4H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H26N2O3S MolecularWeight: 374.49704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=C(C(N1C(=O)C)C2=CC=CC=C2)C(=O)OCC)C

Isomeric SMILES

CCCCSC1=NC(=C([C@@H](N1C(=O)C)C2=CC=CC=C2)C(=O)OCC)C

InChI

InChI=1S/C20H26N2O3S/c1-5-7-13-26-20-21-14(3)17(19(24)25-6-2)18(22(20)15(4)23)16-11-9-8-10-12-16/h8-12,18H,5-7,13H2,1-4H3/t18-/m0/s1