ethyl (4S)-2-ethylsulfanyl-1,6-dimethyl-4-phenyl-4H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-2-ethylsulfanyl-1,6-dimethyl-4-phenyl-4H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-2-ethylsulfanyl-1,6-dimethyl-4-phenyl-4H-pyrimidine-5-carboxylate CAS Name: (4S)-2-(ethylthio)-1,6-dimethyl-4-phenyl-4H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2-ethylsulfanyl-1,6-dimethyl-4-phenyl-4H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-(ethylthio)-1,6-dimethyl-4-phenyl-4H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=NC1C2=CC=CC=C2)SCC)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=N[C@H]1C2=CC=CC=C2)SCC)C)C

InChI

InChI=1S/C17H22N2O2S/c1-5-21-16(20)14-12(3)19(4)17(22-6-2)18-15(14)13-10-8-7-9-11-13/h7-11,15H,5-6H2,1-4H3/t15-/m0/s1