2-[[5-cyano-6-(4-methylphenyl)-2-methylsulfanyl-pyrimidin-4-yl]amino]ethyl propanoate

Systemtic Name: 2-[[5-cyano-6-(4-methylphenyl)-2-methylsulfanyl-pyrimidin-4-yl]amino]ethyl propanoate Openeye Name: 2-[[5-cyano-2-methylsulfanyl-6-(p-tolyl)pyrimidin-4-yl]amino]ethyl propanoate CAS Name: propanoic acid 2-[[5-cyano-6-(4-methylphenyl)-2-(methylthio)-4-pyrimidinyl]amino]ethyl ester IUPAC Name: 2-[[5-cyano-6-(4-methylphenyl)-2-methylsulfanylpyrimidin-4-yl]amino]ethyl propanoate Traditional Name: propionic acid 2-[[5-cyano-2-(methylthio)-6-(p-tolyl)pyrimidin-4-yl]amino]ethyl ester Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O2S/c1-4-15(23)24-10-9-20-17-14(11-19)16(21-18(22-17)25-3)13-7-5-12(2)6-8-13/h5-8H,4,9-10H2,1-3H3,(H,20,21,22)