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

Systemtic Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone Openeye Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone CAS Name: 1-[4-(4-nitrophenyl)-1-piperazinyl]-2-(4-thieno[2,3-d]pyrimidinylthio)ethanone IUPAC Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone Traditional Name: 1-[4-(4-nitrophenyl)piperazino]-2-(thieno[2,3-d]pyrimidin-4-ylthio)ethanone Formula: C18H17N5O3S2 MolecularWeight: 415.48928

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C18H17N5O3S2/c24-16(11-28-18-15-5-10-27-17(15)19-12-20-18)22-8-6-21(7-9-22)13-1-3-14(4-2-13)23(25)26/h1-5,10,12H,6-9,11H2