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

Systemtic Name: 2-[[4-(2-chloranyl-4-cyano-5-methoxy-phenyl)-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-propan-2-yl-ethanamide Openeye Name: 2-[[4-(2-chloro-4-cyano-5-methoxy-phenyl)-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-isopropyl-acetamide CAS Name: 2-[[4-(2-chloro-4-cyano-5-methoxyphenyl)-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl]thio]-N-propan-2-ylacetamide IUPAC Name: 2-[[4-(2-chloro-4-cyano-5-methoxyphenyl)-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-propan-2-ylacetamide Traditional Name: 2-[[4-(2-chloro-4-cyano-5-methoxy-phenyl)-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl]thio]-N-isopropyl-acetamide Formula: C20H17ClN6O2S MolecularWeight: 440.90598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN6O2S/c1-10(2)25-16(28)9-30-20-26-18(17-12(7-23)8-24-19(17)27-20)13-5-15(29-3)11(6-22)4-14(13)21/h4-5,8,10H,9H2,1-3H3,(H,25,28)(H,24,26,27)