2-methyl-N-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]quinolin-8-amine

Systemtic Name: 2-methyl-N-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]quinolin-8-amine Openeye Name: 2-methyl-N-[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]quinolin-8-amine CAS Name: 2-methyl-N-[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]-8-quinolinamine IUPAC Name: 2-methyl-N-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]quinolin-8-amine Traditional Name: (2-methyl-8-quinolyl)-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amine Formula: C23H22N8O2 MolecularWeight: 442.47318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2NC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=N5)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=N5)C=C1

InChI

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