6-(4-chloranyl-3,5-dimethyl-phenoxy)-N-(2,4-dimethylphenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(4-chloranyl-3,5-dimethyl-phenoxy)-N-(2,4-dimethylphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-chloro-3,5-dimethyl-phenoxy)-N-(2,4-dimethylphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(4-chloro-3,5-dimethylphenoxy)-N-(2,4-dimethylphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-chloro-3,5-dimethylphenoxy)-N-(2,4-dimethylphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]-(2,4-dimethylphenyl)amine Formula: C20H19ClN4O3 MolecularWeight: 398.84286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C(C(=NC=N2)OC3=CC(=C(C(=C3)C)Cl)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C(C(=NC=N2)OC3=CC(=C(C(=C3)C)Cl)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H19ClN4O3/c1-11-5-6-16(12(2)7-11)24-19-18(25(26)27)20(23-10-22-19)28-15-8-13(3)17(21)14(4)9-15/h5-10H,1-4H3,(H,22,23,24)