N-[4-(cyanomethyl)phenyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide CAS Name: N-[4-(cyanomethyl)phenyl]-3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide Traditional Name: N-[4-(cyanomethyl)phenyl]-3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionamide Formula: C18H20N4OS MolecularWeight: 340.4426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C18H20N4OS/c1-12-16(13(2)21-18(20-12)24-3)8-9-17(23)22-15-6-4-14(5-7-15)10-11-19/h4-7H,8-10H2,1-3H3,(H,22,23)