N-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-2-methyl-quinolin-8-amine

Systemtic Name: N-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-2-methyl-quinolin-8-amine Openeye Name: N-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-2-methyl-quinolin-8-amine CAS Name: N-[6-(3,5-dimethylphenoxy)-5-nitro-4-pyrimidinyl]-2-methyl-8-quinolinamine IUPAC Name: N-[6-(3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]-2-methylquinolin-8-amine Traditional Name: [6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-(2-methyl-8-quinolyl)amine Formula: C22H19N5O3 MolecularWeight: 401.41796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2NC3=C(C(=NC=N3)OC4=CC(=CC(=C4)C)C)[N+](=O)[O-])C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC3=C(C(=NC=N3)OC4=CC(=CC(=C4)C)C)[N+](=O)[O-])C=C1

InChI

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