1-[5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: 1-[5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: 1-[5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-(3-nitrophenyl)-4-thieno[2,3-d]pyrimidinyl]-4-piperidinecarboxylate IUPAC Name: 1-[5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-yl]isonipecotate Formula: C18H15N4O4S- MolecularWeight: 383.4011

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)[O-])C2=C3C(=CSC3=NC=N2)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)[O-])C2=C3C(=CSC3=NC=N2)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O4S/c23-18(24)11-4-6-21(7-5-11)16-15-14(9-27-17(15)20-10-19-16)12-2-1-3-13(8-12)22(25)26/h1-3,8-11H,4-7H2,(H,23,24)/p-1