N4-(3-methylpyridin-2-yl)-N6-(2-methylquinolin-5-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(3-methylpyridin-2-yl)-N6-(2-methylquinolin-5-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(3-methyl-2-pyridyl)-N6-(2-methyl-5-quinolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3-methyl-2-pyridinyl)-N6-(2-methyl-5-quinolinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(3-methylpyridin-2-yl)-6-N-(2-methylquinolin-5-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (3-methyl-2-pyridyl)-[6-[(2-methyl-5-quinolyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C20H17N7O2 MolecularWeight: 387.39468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3C=CC(=N4)C

Isomeric SMILES

CC1=C(N=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3C=CC(=N4)C

InChI

InChI=1S/C20H17N7O2/c1-12-5-4-10-21-18(12)26-20-17(27(28)29)19(22-11-23-20)25-16-7-3-6-15-14(16)9-8-13(2)24-15/h3-11H,1-2H3,(H2,21,22,23,25,26)