N-(4-butoxyphenyl)-6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(4-butoxyphenyl)-6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: N-(4-butoxyphenyl)-6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-(4-butoxyphenyl)-6-(3,4-dimethylphenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-(4-butoxyphenyl)-6-(3,4-dimethylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: (4-butoxyphenyl)-[6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=CC(=C(C=C3)C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=CC(=C(C=C3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O4/c1-4-5-12-29-18-10-7-17(8-11-18)25-21-20(26(27)28)22(24-14-23-21)30-19-9-6-15(2)16(3)13-19/h6-11,13-14H,4-5,12H2,1-3H3,(H,23,24,25)