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

Systemtic Name: N-(4-butylphenyl)-6-(4-chloranyl-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: N-(4-butylphenyl)-6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-(4-butylphenyl)-6-(4-chloro-3,5-dimethylphenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-(4-butylphenyl)-6-(4-chloro-3,5-dimethylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: (4-butylphenyl)-[6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C22H23ClN4O3 MolecularWeight: 426.89602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=CC(=C(C(=C3)C)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=CC(=C(C(=C3)C)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C22H23ClN4O3/c1-4-5-6-16-7-9-17(10-8-16)26-21-20(27(28)29)22(25-13-24-21)30-18-11-14(2)19(23)15(3)12-18/h7-13H,4-6H2,1-3H3,(H,24,25,26)