6-(3,5-dimethylphenoxy)-N-[(4-methylphenyl)methyl]-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(3,5-dimethylphenoxy)-N-[(4-methylphenyl)methyl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(3,5-dimethylphenoxy)-5-nitro-N-(p-tolylmethyl)pyrimidin-4-amine CAS Name: 6-(3,5-dimethylphenoxy)-N-[(4-methylphenyl)methyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(3,5-dimethylphenoxy)-N-[(4-methylphenyl)methyl]-5-nitropyrimidin-4-amine Traditional Name: [6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-(4-methylbenzyl)amine Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=C(C(=NC=N2)OC3=CC(=CC(=C3)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C(C(=NC=N2)OC3=CC(=CC(=C3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3/c1-13-4-6-16(7-5-13)11-21-19-18(24(25)26)20(23-12-22-19)27-17-9-14(2)8-15(3)10-17/h4-10,12H,11H2,1-3H3,(H,21,22,23)