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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-amine Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-amine CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-6-(1-pyrrolidinyl)-4-pyrimidinamine IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-6-pyrrolidin-1-ylpyrimidin-4-amine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-(5-nitro-6-pyrrolidino-pyrimidin-4-yl)amine Formula: C16H17N5O4 MolecularWeight: 343.33728

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

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