N6-[(4-methoxyphenyl)methyl]-N4-(2-methylquinolin-5-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-[(4-methoxyphenyl)methyl]-N4-(2-methylquinolin-5-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[(4-methoxyphenyl)methyl]-N4-(2-methyl-5-quinolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[(4-methoxyphenyl)methyl]-N4-(2-methyl-5-quinolinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[(4-methoxyphenyl)methyl]-4-N-(2-methylquinolin-5-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (2-methyl-5-quinolyl)-[5-nitro-6-(p-anisylamino)pyrimidin-4-yl]amine Formula: C22H20N6O3 MolecularWeight: 416.4326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC=C2)NC3=C(C(=NC=N3)NCC4=CC=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)NC3=C(C(=NC=N3)NCC4=CC=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H20N6O3/c1-14-6-11-17-18(26-14)4-3-5-19(17)27-22-20(28(29)30)21(24-13-25-22)23-12-15-7-9-16(31-2)10-8-15/h3-11,13H,12H2,1-2H3,(H2,23,24,25,27)