5-nitro-N6-(phenylmethyl)-N4-quinolin-5-yl-pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N6-(phenylmethyl)-N4-quinolin-5-yl-pyrimidine-4,6-diamine Openeye Name: N6-benzyl-5-nitro-N4-(5-quinolyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-(phenylmethyl)-N4-(5-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-benzyl-5-nitro-4-N-quinolin-5-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[5-nitro-6-(5-quinolylamino)pyrimidin-4-yl]amine Formula: C20H16N6O2 MolecularWeight: 372.38004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3C=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3C=CC=N4

InChI

InChI=1S/C20H16N6O2/c27-26(28)18-19(22-12-14-6-2-1-3-7-14)23-13-24-20(18)25-17-10-4-9-16-15(17)8-5-11-21-16/h1-11,13H,12H2,(H2,22,23,24,25)