N-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: N-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-[(3-chloro-4-fluoro-phenyl)methyl]-5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-amine CAS Name: N-[(3-chloro-4-fluorophenyl)methyl]-5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-[(3-chloro-4-fluorophenyl)methyl]-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: (3-chloro-4-fluoro-benzyl)-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amine Formula: C20H19ClFN7O2 MolecularWeight: 443.861963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NCC4=CC(=C(C=C4)F)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NCC4=CC(=C(C=C4)F)Cl)[N+](=O)[O-]

InChI

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