N-(3-cyanophenyl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide

Systemtic Name: N-(3-cyanophenyl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide Openeye Name: N-(3-cyanophenyl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide CAS Name: N-(3-cyanophenyl)-3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanamide IUPAC Name: N-(3-cyanophenyl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide Traditional Name: N-(3-cyanophenyl)-3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionamide Formula: C17H18N4OS MolecularWeight: 326.41602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4OS/c1-11-15(12(2)20-17(19-11)23-3)7-8-16(22)21-14-6-4-5-13(9-14)10-18/h4-6,9H,7-8H2,1-3H3,(H,21,22)