1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone Openeye Name: 1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone CAS Name: 1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-(4-thieno[2,3-d]pyrimidinylthio)ethanone IUPAC Name: 1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone Traditional Name: 1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-(thieno[2,3-d]pyrimidin-4-ylthio)ethanone Formula: C19H19FN4O3S3 MolecularWeight: 466.572563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C19H19FN4O3S3/c20-14-2-4-15(5-3-14)30(26,27)24-8-1-7-23(9-10-24)17(25)12-29-19-16-6-11-28-18(16)21-13-22-19/h2-6,11,13H,1,7-10,12H2