N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-6-piperidin-1-yl-pyrimidin-4-amine

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-6-piperidin-1-yl-pyrimidin-4-amine Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-6-(1-piperidyl)pyrimidin-4-amine CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-6-(1-piperidinyl)-4-pyrimidinamine IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-(5-nitro-6-piperidino-pyrimidin-4-yl)amine Formula: C17H19N5O4 MolecularWeight: 357.36386

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

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