2-[[4-(2-chloranyl-4-methoxy-5-oxidanyl-phenyl)-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-methyl-ethanamide

Systemtic Name: 2-[[4-(2-chloranyl-4-methoxy-5-oxidanyl-phenyl)-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-methyl-ethanamide Openeye Name: 2-[[4-(2-chloro-5-hydroxy-4-methoxy-phenyl)-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-methyl-acetamide CAS Name: 2-[[4-(2-chloro-5-hydroxy-4-methoxyphenyl)-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl]thio]-N-methylacetamide IUPAC Name: 2-[[4-(2-chloro-5-hydroxy-4-methoxyphenyl)-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-methylacetamide Traditional Name: 2-[[4-(2-chloro-5-hydroxy-4-methoxy-phenyl)-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl]thio]-N-methyl-acetamide Formula: C17H14ClN5O3S MolecularWeight: 403.84276

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CSC1=NC(=C2C(=CNC2=N1)C#N)C3=CC(=C(C=C3Cl)OC)O

Isomeric SMILES

CNC(=O)CSC1=NC(=C2C(=CNC2=N1)C#N)C3=CC(=C(C=C3Cl)OC)O

InChI

InChI=1S/C17H14ClN5O3S/c1-20-13(25)7-27-17-22-15(14-8(5-19)6-21-16(14)23-17)9-3-11(24)12(26-2)4-10(9)18/h3-4,6,24H,7H2,1-2H3,(H,20,25)(H,21,22,23)