1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-ethanone Openeye Name: 1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-ethanone CAS Name: 1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-2-(4-thieno[3,2-d]pyrimidinylthio)ethanone IUPAC Name: 1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone Traditional Name: 1-[4-(3-nitrophenyl)sulfonylpiperazino]-2-(thieno[3,2-d]pyrimidin-4-ylthio)ethanone Formula: C18H17N5O5S3 MolecularWeight: 479.55308

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC=NC3=C2SC=C3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC=NC3=C2SC=C3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O5S3/c24-16(11-30-18-17-15(4-9-29-17)19-12-20-18)21-5-7-22(8-6-21)31(27,28)14-3-1-2-13(10-14)23(25)26/h1-4,9-10,12H,5-8,11H2