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

Systemtic Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxy-ethanone Openeye Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxy-ethanone CAS Name: 1-[4-(4-nitrophenyl)-1-piperazinyl]-2-(4-thieno[2,3-d]pyrimidinyloxy)ethanone IUPAC Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone Traditional Name: 1-[4-(4-nitrophenyl)piperazino]-2-thieno[2,3-d]pyrimidin-4-yloxy-ethanone Formula: C18H17N5O4S MolecularWeight: 399.42368

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)COC3=C4C=CSC4=NC=N3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)COC3=C4C=CSC4=NC=N3

InChI

InChI=1S/C18H17N5O4S/c24-16(11-27-17-15-5-10-28-18(15)20-12-19-17)22-8-6-21(7-9-22)13-1-3-14(4-2-13)23(25)26/h1-5,10,12H,6-9,11H2