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

Systemtic Name: N4-(5-bromanylpyridin-2-yl)-N6-(2-methylquinolin-8-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(5-bromo-2-pyridyl)-N6-(2-methyl-8-quinolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(5-bromo-2-pyridinyl)-N6-(2-methyl-8-quinolinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(5-bromopyridin-2-yl)-6-N-(2-methylquinolin-8-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (5-bromo-2-pyridyl)-[6-[(2-methyl-8-quinolyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C19H14BrN7O2 MolecularWeight: 452.26416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2NC3=C(C(=NC=N3)NC4=NC=C(C=C4)Br)[N+](=O)[O-])C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC3=C(C(=NC=N3)NC4=NC=C(C=C4)Br)[N+](=O)[O-])C=C1

InChI

InChI=1S/C19H14BrN7O2/c1-11-5-6-12-3-2-4-14(16(12)24-11)25-18-17(27(28)29)19(23-10-22-18)26-15-8-7-13(20)9-21-15/h2-10H,1H3,(H2,21,22,23,25,26)