N-(1,3-benzodioxol-5-yl)-5-nitro-6-propan-2-yloxy-pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-yl)-5-nitro-6-propan-2-yloxy-pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-6-isopropoxy-5-nitro-pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-yl)-5-nitro-6-propan-2-yloxy-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-5-nitro-6-propan-2-yloxypyrimidin-4-amine Traditional Name: 1,3-benzodioxol-5-yl-(6-isopropoxy-5-nitro-pyrimidin-4-yl)amine Formula: C14H14N4O5 MolecularWeight: 318.28476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=NC=NC(=C1[N+](=O)[O-])NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)OC1=NC=NC(=C1[N+](=O)[O-])NC2=CC3=C(C=C2)OCO3

InChI

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