N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-6-pyridin-3-yloxy-pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-6-pyridin-3-yloxy-pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-6-(3-pyridyloxy)pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-6-(3-pyridinyloxy)-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine Traditional Name: [5-nitro-6-(3-pyridyloxy)pyrimidin-4-yl]-piperonyl-amine Formula: C17H13N5O5 MolecularWeight: 367.31562

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)OC4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)OC4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H13N5O5/c23-22(24)15-16(19-7-11-3-4-13-14(6-11)26-10-25-13)20-9-21-17(15)27-12-2-1-5-18-8-12/h1-6,8-9H,7,10H2,(H,19,20,21)