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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-6-piperidin-1-yl-pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-6-(1-piperidyl)pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-6-(1-piperidinyl)-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine Traditional Name: (5-nitro-6-piperidino-pyrimidin-4-yl)-piperonyl-amine Formula: C17H19N5O4 MolecularWeight: 357.36386

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O4/c23-22(24)15-16(19-10-20-17(15)21-6-2-1-3-7-21)18-9-12-4-5-13-14(8-12)26-11-25-13/h4-5,8,10H,1-3,6-7,9,11H2,(H,18,19,20)