N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-6-(2-phenylhydrazino)pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-6-(phenylhydrazo)-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine Traditional Name: [5-nitro-6-(N'-phenylhydrazino)pyrimidin-4-yl]-piperonyl-amine Formula: C18H16N6O4 MolecularWeight: 380.35744

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)NNC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)NNC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H16N6O4/c25-24(26)16-17(19-9-12-6-7-14-15(8-12)28-11-27-14)20-10-21-18(16)23-22-13-4-2-1-3-5-13/h1-8,10,22H,9,11H2,(H2,19,20,21,23)