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

Systemtic Name: 2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-[(2S)-2-cyano-3-methyl-butan-2-yl]ethanamide Openeye Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-[(1S)-1-cyano-1,2-dimethyl-propyl]acetamide CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide IUPAC Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]-N-[(1S)-1-cyano-1,2-dimethyl-propyl]acetamide Formula: C20H24ClN5OS MolecularWeight: 417.95546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCC(=O)N[C@](C)(C#N)C(C)C)N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H24ClN5OS/c1-5-15-17(13-6-8-14(21)9-7-13)18(23)25-19(24-15)28-10-16(27)26-20(4,11-22)12(2)3/h6-9,12H,5,10H2,1-4H3,(H,26,27)(H2,23,24,25)/t20-/m1/s1