N-[[5-chloranyl-2-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxy-phenyl]methylideneamino]-N-methyl-methanamine

Systemtic Name: N-[[5-chloranyl-2-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxy-phenyl]methylideneamino]-N-methyl-methanamine Openeye Name: N-[[5-chloro-2-[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]oxy-phenyl]methyleneamino]-N-methyl-methanamine CAS Name: N-[[5-chloro-2-[[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]oxy]phenyl]methylideneamino]-N-methylmethanamine IUPAC Name: N-[[5-chloro-2-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxyphenyl]methylideneamino]-N-methylmethanamine Traditional Name: [[5-chloro-2-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]oxy-benzylidene]amino]-dimethyl-amine Formula: C22H23ClN8O3 MolecularWeight: 482.92282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)N=CC1=C(C=CC(=C1)Cl)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CN(C)N=CC1=C(C=CC(=C1)Cl)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C22H23ClN8O3/c1-28(2)27-14-16-13-17(23)6-7-18(16)34-22-20(31(32)33)21(25-15-26-22)30-11-9-29(10-12-30)19-5-3-4-8-24-19/h3-8,13-15H,9-12H2,1-2H3