3-[2-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-keto-2-(4-nosylpiperazino)ethyl]thieno[2,3-d]pyrimidin-4-one Formula: C18H17N5O6S2 MolecularWeight: 463.48748

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C=NC3=C(C2=O)C=CS3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CN2C=NC3=C(C2=O)C=CS3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O6S2/c24-16(11-21-12-19-17-15(18(21)25)5-10-30-17)20-6-8-22(9-7-20)31(28,29)14-3-1-13(2-4-14)23(26)27/h1-5,10,12H,6-9,11H2