6-(2-methylquinolin-8-yl)oxy-N-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(2-methylquinolin-8-yl)oxy-N-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[(2-methyl-8-quinolyl)oxy]-N-(3-morpholinopropyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[(2-methyl-8-quinolinyl)oxy]-N-[3-(4-morpholinyl)propyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(2-methylquinolin-8-yl)oxy-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-4-amine Traditional Name: [6-[(2-methyl-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]-(3-morpholinopropyl)amine Formula: C21H24N6O4 MolecularWeight: 424.45306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])NCCCN4CCOCC4)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])NCCCN4CCOCC4)C=C1

InChI

InChI=1S/C21H24N6O4/c1-15-6-7-16-4-2-5-17(18(16)25-15)31-21-19(27(28)29)20(23-14-24-21)22-8-3-9-26-10-12-30-13-11-26/h2,4-7,14H,3,8-13H2,1H3,(H,22,23,24)