3-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-[4-(2-nitrophenyl)-1-piperazinyl]-2-oxoethyl]-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-keto-2-[4-(2-nitrophenyl)piperazino]ethyl]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C22H19N5O4S2 MolecularWeight: 481.54736

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=O)CN3C=NC4=C(C3=O)C(=CS4)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=O)CN3C=NC4=C(C3=O)C(=CS4)C5=CC=CS5

InChI

InChI=1S/C22H19N5O4S2/c28-19(25-9-7-24(8-10-25)16-4-1-2-5-17(16)27(30)31)12-26-14-23-21-20(22(26)29)15(13-33-21)18-6-3-11-32-18/h1-6,11,13-14H,7-10,12H2