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

Systemtic Name: N-[(4-methylphenyl)methyl]-6-(2-methylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-amine Openeye Name: 6-[(2-methyl-8-quinolyl)oxy]-5-nitro-N-(p-tolylmethyl)pyrimidin-4-amine CAS Name: N-[(4-methylphenyl)methyl]-6-[(2-methyl-8-quinolinyl)oxy]-5-nitro-4-pyrimidinamine IUPAC Name: N-[(4-methylphenyl)methyl]-6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-amine Traditional Name: (4-methylbenzyl)-[6-[(2-methyl-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]amine Formula: C22H19N5O3 MolecularWeight: 401.41796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=C(C(=NC=N2)OC3=CC=CC4=C3N=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C(C(=NC=N2)OC3=CC=CC4=C3N=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C22H19N5O3/c1-14-6-9-16(10-7-14)12-23-21-20(27(28)29)22(25-13-24-21)30-18-5-3-4-17-11-8-15(2)26-19(17)18/h3-11,13H,12H2,1-2H3,(H,23,24,25)