N4-[2,4-bis(fluoranyl)phenyl]-N6-(2-methylquinolin-5-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-[2,4-bis(fluoranyl)phenyl]-N6-(2-methylquinolin-5-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2,4-difluorophenyl)-N6-(2-methyl-5-quinolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2,4-difluorophenyl)-N6-(2-methyl-5-quinolinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2,4-difluorophenyl)-6-N-(2-methylquinolin-5-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2,4-difluoroanilino)-5-nitro-pyrimidin-4-yl]-(2-methyl-5-quinolyl)amine Formula: C20H14F2N6O2 MolecularWeight: 408.360966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC=C2)NC3=C(C(=NC=N3)NC4=C(C=C(C=C4)F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)NC3=C(C(=NC=N3)NC4=C(C=C(C=C4)F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H14F2N6O2/c1-11-5-7-13-15(25-11)3-2-4-16(13)26-19-18(28(29)30)20(24-10-23-19)27-17-8-6-12(21)9-14(17)22/h2-10H,1H3,(H2,23,24,26,27)