N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(3,5-dimethylphenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(3,5-dimethylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: [6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-homoveratryl-amine Formula: C22H24N4O5 MolecularWeight: 424.44976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C22H24N4O5/c1-14-9-15(2)11-17(10-14)31-22-20(26(27)28)21(24-13-25-22)23-8-7-16-5-6-18(29-3)19(12-16)30-4/h5-6,9-13H,7-8H2,1-4H3,(H,23,24,25)