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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC(=C(C=C3)OC)OC

InChI

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