2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-[4-(cyanomethyl)phenyl]ethanamide

Systemtic Name: 2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-[4-(cyanomethyl)phenyl]ethanamide Openeye Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-N-[4-(cyanomethyl)phenyl]acetamide IUPAC Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]-N-[4-(cyanomethyl)phenyl]acetamide Formula: C22H20ClN5OS MolecularWeight: 437.9451

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)CC#N)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)CC#N)N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H20ClN5OS/c1-2-18-20(15-5-7-16(23)8-6-15)21(25)28-22(27-18)30-13-19(29)26-17-9-3-14(4-10-17)11-12-24/h3-10H,2,11,13H2,1H3,(H,26,29)(H2,25,27,28)