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

Systemtic Name: N4-(2-methylquinolin-5-yl)-5-nitro-N6-(3-nitrophenyl)pyrimidine-4,6-diamine Openeye Name: N4-(2-methyl-5-quinolyl)-5-nitro-N6-(3-nitrophenyl)pyrimidine-4,6-diamine CAS Name: N4-(2-methyl-5-quinolinyl)-5-nitro-N6-(3-nitrophenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(2-methylquinolin-5-yl)-5-nitro-6-N-(3-nitrophenyl)pyrimidine-4,6-diamine Traditional Name: (2-methyl-5-quinolyl)-[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]amine Formula: C20H15N7O4 MolecularWeight: 417.3776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC=C2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N7O4/c1-12-8-9-15-16(23-12)6-3-7-17(15)25-20-18(27(30)31)19(21-11-22-20)24-13-4-2-5-14(10-13)26(28)29/h2-11H,1H3,(H2,21,22,24,25)