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

Systemtic Name: 2-methyl-N-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]quinolin-8-amine Openeye Name: N-[6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-2-methyl-quinolin-8-amine CAS Name: 2-methyl-N-[5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]-8-quinolinamine IUPAC Name: N-[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]-2-methylquinolin-8-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-(2-methyl-8-quinolyl)amine Formula: C25H25N7O2 MolecularWeight: 455.5117

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2NC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)CC5=CC=CC=C5)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)CC5=CC=CC=C5)C=C1

InChI

InChI=1S/C25H25N7O2/c1-18-10-11-20-8-5-9-21(22(20)28-18)29-24-23(32(33)34)25(27-17-26-24)31-14-12-30(13-15-31)16-19-6-3-2-4-7-19/h2-11,17H,12-16H2,1H3,(H,26,27,29)