ethyl 4-azanyl-2-(1-cyano-2-phenyl-ethyl)sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-(1-cyano-2-phenyl-ethyl)sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-(1-cyano-2-phenyl-ethyl)sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(1-cyano-2-phenylethyl)thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(1-cyano-2-phenylethyl)sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(1-cyano-2-phenyl-ethyl)thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SC(CC2=CC=CC=C2)C#N

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SC(CC2=CC=CC=C2)C#N

InChI

InChI=1S/C16H16N4O2S/c1-2-22-15(21)13-10-19-16(20-14(13)18)23-12(9-17)8-11-6-4-3-5-7-11/h3-7,10,12H,2,8H2,1H3,(H2,18,19,20)