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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-yl)-6-(3,5-dimethyl-1-pyrazolyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-6-(3,5-dimethylpyrazol-1-yl)-5-nitropyrimidin-4-amine Traditional Name: 1,3-benzodioxol-5-yl-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]amine Formula: C16H14N6O4 MolecularWeight: 354.32016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-])C

InChI

InChI=1S/C16H14N6O4/c1-9-5-10(2)21(20-9)16-14(22(23)24)15(17-7-18-16)19-11-3-4-12-13(6-11)26-8-25-12/h3-7H,8H2,1-2H3,(H,17,18,19)