N6-butyl-5-nitro-N4-quinolin-5-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-butyl-5-nitro-N4-quinolin-5-yl-pyrimidine-4,6-diamine Openeye Name: N6-butyl-5-nitro-N4-(5-quinolyl)pyrimidine-4,6-diamine CAS Name: N6-butyl-5-nitro-N4-(5-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-5-nitro-4-N-quinolin-5-ylpyrimidine-4,6-diamine Traditional Name: butyl-[5-nitro-6-(5-quinolylamino)pyrimidin-4-yl]amine Formula: C17H18N6O2 MolecularWeight: 338.36382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC3=C2C=CC=N3

Isomeric SMILES

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC3=C2C=CC=N3

InChI

InChI=1S/C17H18N6O2/c1-2-3-9-19-16-15(23(24)25)17(21-11-20-16)22-14-8-4-7-13-12(14)6-5-10-18-13/h4-8,10-11H,2-3,9H2,1H3,(H2,19,20,21,22)