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

Systemtic Name: N4-(2-methylquinolin-5-yl)-5-nitro-N6-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Openeye Name: N6-(4-isopropylphenyl)-N4-(2-methyl-5-quinolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2-methyl-5-quinolinyl)-5-nitro-N6-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(2-methylquinolin-5-yl)-5-nitro-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Traditional Name: (6-cumidino-5-nitro-pyrimidin-4-yl)-(2-methyl-5-quinolyl)amine Formula: C23H22N6O2 MolecularWeight: 414.45978

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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=C(C=C4)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H22N6O2/c1-14(2)16-8-10-17(11-9-16)27-22-21(29(30)31)23(25-13-24-22)28-20-6-4-5-19-18(20)12-7-15(3)26-19/h4-14H,1-3H3,(H2,24,25,27,28)