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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-ethoxy-5-nitro-pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-ethoxy-5-nitro-pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-ethoxy-5-nitro-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-ethoxy-5-nitropyrimidin-4-amine Traditional Name: (6-ethoxy-5-nitro-pyrimidin-4-yl)-piperonyl-amine Formula: C14H14N4O5 MolecularWeight: 318.28476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H14N4O5/c1-2-21-14-12(18(19)20)13(16-7-17-14)15-6-9-3-4-10-11(5-9)23-8-22-10/h3-5,7H,2,6,8H2,1H3,(H,15,16,17)