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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-5-nitro-6-piperidin-1-yl-pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-5-nitro-6-(1-piperidyl)pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-yl)-5-nitro-6-(1-piperidinyl)-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine Traditional Name: 1,3-benzodioxol-5-yl-(5-nitro-6-piperidino-pyrimidin-4-yl)amine Formula: C16H17N5O4 MolecularWeight: 343.33728

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O4/c22-21(23)14-15(17-9-18-16(14)20-6-2-1-3-7-20)19-11-4-5-12-13(8-11)25-10-24-12/h4-5,8-9H,1-3,6-7,10H2,(H,17,18,19)