N6-(2-methylquinolin-5-yl)-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-(2-methylquinolin-5-yl)-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine Openeye Name: N6-(2-methyl-5-quinolyl)-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine CAS Name: N6-(2-methyl-5-quinolinyl)-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(2-methylquinolin-5-yl)-5-nitro-4-N-(1-phenylethyl)pyrimidine-4,6-diamine Traditional Name: (2-methyl-5-quinolyl)-[5-nitro-6-(1-phenylethylamino)pyrimidin-4-yl]amine Formula: C22H20N6O2 MolecularWeight: 400.4332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N6O2/c1-14-11-12-17-18(25-14)9-6-10-19(17)27-22-20(28(29)30)21(23-13-24-22)26-15(2)16-7-4-3-5-8-16/h3-13,15H,1-2H3,(H2,23,24,26,27)