5-nitro-N6-propyl-N4-quinolin-8-yl-pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N6-propyl-N4-quinolin-8-yl-pyrimidine-4,6-diamine Openeye Name: 5-nitro-N6-propyl-N4-(8-quinolyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-propyl-N4-(8-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 5-nitro-6-N-propyl-4-N-quinolin-8-ylpyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(propylamino)pyrimidin-4-yl]-(8-quinolyl)amine Formula: C16H16N6O2 MolecularWeight: 324.33724

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C16H16N6O2/c1-2-8-18-15-14(22(23)24)16(20-10-19-15)21-12-7-3-5-11-6-4-9-17-13(11)12/h3-7,9-10H,2,8H2,1H3,(H2,18,19,20,21)