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

Systemtic Name: N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-[(2-chloro-6-fluoro-phenyl)methyl]-5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-amine CAS Name: N-[(2-chloro-6-fluorophenyl)methyl]-5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-[(2-chloro-6-fluorophenyl)methyl]-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: (2-chloro-6-fluoro-benzyl)-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amine Formula: C20H19ClFN7O2 MolecularWeight: 443.861963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NCC4=C(C=CC=C4Cl)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NCC4=C(C=CC=C4Cl)F)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClFN7O2/c21-15-4-3-5-16(22)14(15)12-24-19-18(29(30)31)20(26-13-25-19)28-10-8-27(9-11-28)17-6-1-2-7-23-17/h1-7,13H,8-12H2,(H,24,25,26)