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

Systemtic Name: ethyl 2-[(5-cyano-2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)-methyl-amino]ethanoate Openeye Name: ethyl 2-[(5-cyano-2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)-methyl-amino]acetate CAS Name: 2-[[5-cyano-2-(methylthio)-6-phenyl-4-pyrimidinyl]-methylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[(5-cyano-2-methylsulfanyl-6-phenylpyrimidin-4-yl)-methylamino]acetate Traditional Name: 2-[[5-cyano-2-(methylthio)-6-phenyl-pyrimidin-4-yl]-methyl-amino]acetic acid ethyl ester Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C)C1=NC(=NC(=C1C#N)C2=CC=CC=C2)SC

Isomeric SMILES

CCOC(=O)CN(C)C1=NC(=NC(=C1C#N)C2=CC=CC=C2)SC

InChI

InChI=1S/C17H18N4O2S/c1-4-23-14(22)11-21(2)16-13(10-18)15(19-17(20-16)24-3)12-8-6-5-7-9-12/h5-9H,4,11H2,1-3H3