N-(2,3-dimethylphenyl)-6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(2,3-dimethylphenyl)-6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: N-(2,3-dimethylphenyl)-6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-(2,3-dimethylphenyl)-6-(4-ethylphenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-(2,3-dimethylphenyl)-6-(4-ethylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: (2,3-dimethylphenyl)-[6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC(=C3C)C

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC(=C3C)C

InChI

InChI=1S/C20H20N4O3/c1-4-15-8-10-16(11-9-15)27-20-18(24(25)26)19(21-12-22-20)23-17-7-5-6-13(2)14(17)3/h5-12H,4H2,1-3H3,(H,21,22,23)