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

Systemtic Name: 2-methyl-N-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]quinolin-5-amine Openeye Name: 2-methyl-N-[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]quinolin-5-amine CAS Name: 2-methyl-N-[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]-5-quinolinamine IUPAC Name: 2-methyl-N-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]quinolin-5-amine Traditional Name: (2-methyl-5-quinolyl)-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amine Formula: C23H22N8O2 MolecularWeight: 442.47318

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=N5

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)NC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C23H22N8O2/c1-16-8-9-17-18(27-16)5-4-6-19(17)28-22-21(31(32)33)23(26-15-25-22)30-13-11-29(12-14-30)20-7-2-3-10-24-20/h2-10,15H,11-14H2,1H3,(H,25,26,28)