2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-N-(3-chloranyl-4-cyano-phenyl)propanamide

Systemtic Name: 2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-N-(3-chloranyl-4-cyano-phenyl)propanamide Openeye Name: 2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanyl-N-(3-chloro-4-cyano-phenyl)propanamide CAS Name: 2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-N-(3-chloro-4-cyanophenyl)propanamide IUPAC Name: 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-chloro-4-cyanophenyl)propanamide Traditional Name: 2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]-N-(3-chloro-4-cyano-phenyl)propionamide Formula: C15H14ClN5OS MolecularWeight: 347.82256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14ClN5OS/c1-8-5-13(18)21-15(19-8)23-9(2)14(22)20-11-4-3-10(7-17)12(16)6-11/h3-6,9H,1-2H3,(H,20,22)(H2,18,19,21)