6-(3,5-dimethylphenoxy)-5-nitro-N-(4-propan-2-ylphenyl)pyrimidin-4-amine

Systemtic Name: 6-(3,5-dimethylphenoxy)-5-nitro-N-(4-propan-2-ylphenyl)pyrimidin-4-amine Openeye Name: 6-(3,5-dimethylphenoxy)-N-(4-isopropylphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(3,5-dimethylphenoxy)-5-nitro-N-(4-propan-2-ylphenyl)-4-pyrimidinamine IUPAC Name: 6-(3,5-dimethylphenoxy)-5-nitro-N-(4-propan-2-ylphenyl)pyrimidin-4-amine Traditional Name: [6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-p-cumenyl-amine Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(C)C)C

InChI

InChI=1S/C21H22N4O3/c1-13(2)16-5-7-17(8-6-16)24-20-19(25(26)27)21(23-12-22-20)28-18-10-14(3)9-15(4)11-18/h5-13H,1-4H3,(H,22,23,24)