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

Systemtic Name: 6-(2-methylquinolin-8-yl)oxy-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine Openeye Name: 6-[(2-methyl-8-quinolyl)oxy]-5-nitro-N-(3-pyridylmethyl)pyrimidin-4-amine CAS Name: 6-[(2-methyl-8-quinolinyl)oxy]-5-nitro-N-(3-pyridinylmethyl)-4-pyrimidinamine IUPAC Name: 6-(2-methylquinolin-8-yl)oxy-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine Traditional Name: [6-[(2-methyl-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C20H16N6O3 MolecularWeight: 388.37944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])NCC4=CN=CC=C4)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])NCC4=CN=CC=C4)C=C1

InChI

InChI=1S/C20H16N6O3/c1-13-7-8-15-5-2-6-16(17(15)25-13)29-20-18(26(27)28)19(23-12-24-20)22-11-14-4-3-9-21-10-14/h2-10,12H,11H2,1H3,(H,22,23,24)