2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(2-cyano-3-methyl-butan-2-yl)propanamide

Systemtic Name: 2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(2-cyano-3-methyl-butan-2-yl)propanamide Openeye Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(1-cyano-1,2-dimethyl-propyl)propanamide CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-N-(2-cyano-3-methylbutan-2-yl)propanamide IUPAC Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]-N-(1-cyano-1,2-dimethyl-propyl)propionamide Formula: C21H26ClN5OS MolecularWeight: 431.98204

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SC(C)C(=O)NC(C)(C#N)C(C)C)N)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SC(C)C(=O)NC(C)(C#N)C(C)C)N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H26ClN5OS/c1-6-16-17(14-7-9-15(22)10-8-14)18(24)26-20(25-16)29-13(4)19(28)27-21(5,11-23)12(2)3/h7-10,12-13H,6H2,1-5H3,(H,27,28)(H2,24,25,26)