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

Systemtic Name: N-(2,4-dimethoxyphenyl)-6-(2-methylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-amine Openeye Name: N-(2,4-dimethoxyphenyl)-6-[(2-methyl-8-quinolyl)oxy]-5-nitro-pyrimidin-4-amine CAS Name: N-(2,4-dimethoxyphenyl)-6-[(2-methyl-8-quinolinyl)oxy]-5-nitro-4-pyrimidinamine IUPAC Name: N-(2,4-dimethoxyphenyl)-6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-amine Traditional Name: (2,4-dimethoxyphenyl)-[6-[(2-methyl-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]amine Formula: C22H19N5O5 MolecularWeight: 433.41676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])NC4=C(C=C(C=C4)OC)OC)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])NC4=C(C=C(C=C4)OC)OC)C=C1

InChI

InChI=1S/C22H19N5O5/c1-13-7-8-14-5-4-6-17(19(14)25-13)32-22-20(27(28)29)21(23-12-24-22)26-16-10-9-15(30-2)11-18(16)31-3/h4-12H,1-3H3,(H,23,24,26)