2-[(5-cyano-2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]ethyl ethanoate

Systemtic Name: 2-[(5-cyano-2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]ethyl ethanoate Openeye Name: 2-[(5-cyano-2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]ethyl acetate CAS Name: acetic acid 2-[[5-cyano-2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]ethyl ester IUPAC Name: 2-[(5-cyano-2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]ethyl acetate Traditional Name: acetic acid 2-[[5-cyano-2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]ethyl ester Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCNC1=NC(=NC(=C1C#N)C2=CC=CC=C2)SC

Isomeric SMILES

CC(=O)OCCNC1=NC(=NC(=C1C#N)C2=CC=CC=C2)SC

InChI

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