N-(2,5-dimethylphenyl)-6-(2-methylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(2,5-dimethylphenyl)-6-(2-methylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-amine Openeye Name: N-(2,5-dimethylphenyl)-6-[(2-methyl-8-quinolyl)oxy]-5-nitro-pyrimidin-4-amine CAS Name: N-(2,5-dimethylphenyl)-6-[(2-methyl-8-quinolinyl)oxy]-5-nitro-4-pyrimidinamine IUPAC Name: N-(2,5-dimethylphenyl)-6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-amine Traditional Name: (2,5-dimethylphenyl)-[6-[(2-methyl-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]amine Formula: C22H19N5O3 MolecularWeight: 401.41796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC2=C(C(=NC=N2)OC3=CC=CC4=C3N=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC2=C(C(=NC=N2)OC3=CC=CC4=C3N=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C22H19N5O3/c1-13-7-8-14(2)17(11-13)26-21-20(27(28)29)22(24-12-23-21)30-18-6-4-5-16-10-9-15(3)25-19(16)18/h4-12H,1-3H3,(H,23,24,26)