N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide

Systemtic Name: N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide Openeye Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-acetamide CAS Name: N-[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-2-(4-thieno[2,3-d]pyrimidinylthio)acetamide IUPAC Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide Traditional Name: N-(2-chloro-5-pyrrolidinosulfonyl-phenyl)-2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamide Formula: C18H17ClN4O3S3 MolecularWeight: 469.00058

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C18H17ClN4O3S3/c19-14-4-3-12(29(25,26)23-6-1-2-7-23)9-15(14)22-16(24)10-28-18-13-5-8-27-17(13)20-11-21-18/h3-5,8-9,11H,1-2,6-7,10H2,(H,22,24)