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

Systemtic Name: N4-butan-2-yl-N6-(2-methylquinolin-5-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(2-methyl-5-quinolyl)-5-nitro-N4-sec-butyl-pyrimidine-4,6-diamine CAS Name: N4-butan-2-yl-N6-(2-methyl-5-quinolinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-butan-2-yl-6-N-(2-methylquinolin-5-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (2-methyl-5-quinolyl)-[5-nitro-6-(sec-butylamino)pyrimidin-4-yl]amine Formula: C18H20N6O2 MolecularWeight: 352.3904

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC3=C2C=CC(=N3)C

Isomeric SMILES

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC3=C2C=CC(=N3)C

InChI

InChI=1S/C18H20N6O2/c1-4-11(2)22-17-16(24(25)26)18(20-10-19-17)23-15-7-5-6-14-13(15)9-8-12(3)21-14/h5-11H,4H2,1-3H3,(H2,19,20,22,23)