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

Systemtic Name: ethyl 4-(cyanomethylsulfanyl)-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(cyanomethylsulfanyl)-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-(cyanomethylthio)-6-methyl-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(cyanomethylsulfanyl)-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-(cyanomethylthio)-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O2S/c1-3-21-16(20)13-11(2)18-14(12-7-5-4-6-8-12)19-15(13)22-10-9-17/h4-8H,3,10H2,1-2H3