N-(2,5-dimethoxyphenyl)-6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(2,5-dimethoxyphenyl)-6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: N-(2,5-dimethoxyphenyl)-6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-(2,5-dimethoxyphenyl)-6-(4-ethylphenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-(2,5-dimethoxyphenyl)-6-(4-ethylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: (2,5-dimethoxyphenyl)-[6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C20H20N4O5/c1-4-13-5-7-14(8-6-13)29-20-18(24(25)26)19(21-12-22-20)23-16-11-15(27-2)9-10-17(16)28-3/h5-12H,4H2,1-3H3,(H,21,22,23)