N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-6-(1-pyrrolidinyl)-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-6-pyrrolidin-1-ylpyrimidin-4-amine Traditional Name: (5-nitro-6-pyrrolidino-pyrimidin-4-yl)-piperonyl-amine Formula: C16H17N5O4 MolecularWeight: 343.33728

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O4/c22-21(23)14-15(18-9-19-16(14)20-5-1-2-6-20)17-8-11-3-4-12-13(7-11)25-10-24-12/h3-4,7,9H,1-2,5-6,8,10H2,(H,17,18,19)