N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide

Systemtic Name: N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide Openeye Name: N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-acetamide CAS Name: N-[3-(1-pyrrolidinylsulfonyl)phenyl]-2-(4-thieno[2,3-d]pyrimidinylthio)acetamide IUPAC Name: N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide Traditional Name: N-(3-pyrrolidinosulfonylphenyl)-2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamide Formula: C18H18N4O3S3 MolecularWeight: 434.55552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O3S3/c23-16(11-27-18-15-6-9-26-17(15)19-12-20-18)21-13-4-3-5-14(10-13)28(24,25)22-7-1-2-8-22/h3-6,9-10,12H,1-2,7-8,11H2,(H,21,23)