N6-[(4-chlorophenyl)methyl]-N4-(2-methylquinolin-8-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-[(4-chlorophenyl)methyl]-N4-(2-methylquinolin-8-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[(4-chlorophenyl)methyl]-N4-(2-methyl-8-quinolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[(4-chlorophenyl)methyl]-N4-(2-methyl-8-quinolinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[(4-chlorophenyl)methyl]-4-N-(2-methylquinolin-8-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (4-chlorobenzyl)-[6-[(2-methyl-8-quinolyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C21H17ClN6O2 MolecularWeight: 420.85168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2NC3=C(C(=NC=N3)NCC4=CC=C(C=C4)Cl)[N+](=O)[O-])C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC3=C(C(=NC=N3)NCC4=CC=C(C=C4)Cl)[N+](=O)[O-])C=C1

InChI

InChI=1S/C21H17ClN6O2/c1-13-5-8-15-3-2-4-17(18(15)26-13)27-21-19(28(29)30)20(24-12-25-21)23-11-14-6-9-16(22)10-7-14/h2-10,12H,11H2,1H3,(H2,23,24,25,27)