N4-(2-methylquinolin-8-yl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(2-methylquinolin-8-yl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine Openeye Name: N4-(2-methyl-8-quinolyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine CAS Name: N4-(2-methyl-8-quinolinyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(2-methylquinolin-8-yl)-5-nitro-6-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine Traditional Name: (2-methyl-8-quinolyl)-[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]amine Formula: C26H20N6O3 MolecularWeight: 464.4754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)OC5=CC=CC=C5)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)OC5=CC=CC=C5)C=C1

InChI

InChI=1S/C26H20N6O3/c1-17-10-11-18-6-5-9-22(23(18)29-17)31-26-24(32(33)34)25(27-16-28-26)30-19-12-14-21(15-13-19)35-20-7-3-2-4-8-20/h2-16H,1H3,(H2,27,28,30,31)