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

Systemtic Name: 2-[(5-cyano-2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]ethyl butanoate Openeye Name: 2-[(5-cyano-2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]ethyl butanoate CAS Name: butanoic 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 butanoate Traditional Name: butyric acid 2-[[5-cyano-2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]ethyl ester Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O2S/c1-3-7-15(23)24-11-10-20-17-14(12-19)16(21-18(22-17)25-2)13-8-5-4-6-9-13/h4-6,8-9H,3,7,10-11H2,1-2H3,(H,20,21,22)