N-(3-chloranyl-4-cyano-phenyl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide CAS Name: N-(3-chloro-4-cyanophenyl)-3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionamide Formula: C17H17ClN4OS MolecularWeight: 360.86108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN4OS/c1-10-14(11(2)21-17(20-10)24-3)6-7-16(23)22-13-5-4-12(9-19)15(18)8-13/h4-5,8H,6-7H2,1-3H3,(H,22,23)