2-methyl-N-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]quinolin-5-amine

Systemtic Name: 2-methyl-N-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]quinolin-5-amine Openeye Name: 2-methyl-N-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]quinolin-5-amine CAS Name: 2-methyl-N-[5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]-5-quinolinamine IUPAC Name: 2-methyl-N-[5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]quinolin-5-amine Traditional Name: (2-methyl-5-quinolyl)-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]amine Formula: C24H23N7O2 MolecularWeight: 441.48512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC=C2)NC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)NC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C24H23N7O2/c1-17-10-11-19-20(27-17)8-5-9-21(19)28-23-22(31(32)33)24(26-16-25-23)30-14-12-29(13-15-30)18-6-3-2-4-7-18/h2-11,16H,12-15H2,1H3,(H,25,26,28)