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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN4O3/c1-12-4-6-15(7-5-12)10-22-19-18(25(26)27)20(24-11-23-19)28-16-8-13(2)17(21)14(3)9-16/h4-9,11H,10H2,1-3H3,(H,22,23,24)