2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)-N-methyl-ethanamide

Systemtic Name: 2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)-N-methyl-ethanamide Openeye Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)-N-methyl-acetamide CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-N-(1-cyanocyclohexyl)-N-methylacetamide IUPAC Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)-N-methylacetamide Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]-N-(1-cyanocyclohexyl)-N-methyl-acetamide Formula: C22H26ClN5OS MolecularWeight: 443.99274

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SCC(=O)N(C)C2(CCCCC2)C#N)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCC(=O)N(C)C2(CCCCC2)C#N)N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H26ClN5OS/c1-3-17-19(15-7-9-16(23)10-8-15)20(25)27-21(26-17)30-13-18(29)28(2)22(14-24)11-5-4-6-12-22/h7-10H,3-6,11-13H2,1-2H3,(H2,25,26,27)