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

Systemtic Name: N4-butyl-N4-methyl-N6-(2-methylquinolin-5-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-butyl-N4-methyl-N6-(2-methyl-5-quinolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-butyl-N4-methyl-N6-(2-methyl-5-quinolinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-butyl-4-N-methyl-6-N-(2-methylquinolin-5-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: butyl-methyl-[6-[(2-methyl-5-quinolyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C19H22N6O2 MolecularWeight: 366.41698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC3=C2C=CC(=N3)C

Isomeric SMILES

CCCCN(C)C1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC3=C2C=CC(=N3)C

InChI

InChI=1S/C19H22N6O2/c1-4-5-11-24(3)19-17(25(26)27)18(20-12-21-19)23-16-8-6-7-15-14(16)10-9-13(2)22-15/h6-10,12H,4-5,11H2,1-3H3,(H,20,21,23)