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

Systemtic Name: N-(2-methylphenyl)-6-(2-methylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-amine Openeye Name: 6-[(2-methyl-8-quinolyl)oxy]-5-nitro-N-(o-tolyl)pyrimidin-4-amine CAS Name: N-(2-methylphenyl)-6-[(2-methyl-8-quinolinyl)oxy]-5-nitro-4-pyrimidinamine IUPAC Name: N-(2-methylphenyl)-6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-amine Traditional Name: [6-[(2-methyl-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]-(o-tolyl)amine Formula: C21H17N5O3 MolecularWeight: 387.39138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=CC=C4C)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=CC=C4C)C=C1

InChI

InChI=1S/C21H17N5O3/c1-13-6-3-4-8-16(13)25-20-19(26(27)28)21(23-12-22-20)29-17-9-5-7-15-11-10-14(2)24-18(15)17/h3-12H,1-2H3,(H,22,23,25)