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

Systemtic Name: N4-(2-methylquinolin-5-yl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine Openeye Name: N4-(2-methyl-5-quinolyl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine CAS Name: N4-(2-methyl-5-quinolinyl)-5-nitro-N6-phenethylpyrimidine-4,6-diamine IUPAC Name: 4-N-(2-methylquinolin-5-yl)-5-nitro-6-N-phenethylpyrimidine-4,6-diamine Traditional Name: (2-methyl-5-quinolyl)-[5-nitro-6-(phenethylamino)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)NCCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)NC3=C(C(=NC=N3)NCCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H20N6O2/c1-15-10-11-17-18(26-15)8-5-9-19(17)27-22-20(28(29)30)21(24-14-25-22)23-13-12-16-6-3-2-4-7-16/h2-11,14H,12-13H2,1H3,(H2,23,24,25,27)