N6-(3-imidazol-1-ylpropyl)-5-nitro-N4-quinolin-8-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-(3-imidazol-1-ylpropyl)-5-nitro-N4-quinolin-8-yl-pyrimidine-4,6-diamine Openeye Name: N6-(3-imidazol-1-ylpropyl)-5-nitro-N4-(8-quinolyl)pyrimidine-4,6-diamine CAS Name: N6-[3-(1-imidazolyl)propyl]-5-nitro-N4-(8-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(3-imidazol-1-ylpropyl)-5-nitro-4-N-quinolin-8-ylpyrimidine-4,6-diamine Traditional Name: 3-imidazol-1-ylpropyl-[5-nitro-6-(8-quinolylamino)pyrimidin-4-yl]amine Formula: C19H18N8O2 MolecularWeight: 390.39862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)NC3=C(C(=NC=N3)NCCCN4C=CN=C4)[N+](=O)[O-])N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)NC3=C(C(=NC=N3)NCCCN4C=CN=C4)[N+](=O)[O-])N=CC=C2

InChI

InChI=1S/C19H18N8O2/c28-27(29)17-18(22-8-3-10-26-11-9-20-13-26)23-12-24-19(17)25-15-6-1-4-14-5-2-7-21-16(14)15/h1-2,4-7,9,11-13H,3,8,10H2,(H2,22,23,24,25)