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

Systemtic Name: N-[[2,3-bis(fluoranyl)phenyl]methyl]-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-[(2,3-difluorophenyl)methyl]-5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-amine CAS Name: N-[(2,3-difluorophenyl)methyl]-5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N-[(2,3-difluorophenyl)methyl]-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: (2,3-difluorobenzyl)-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amine Formula: C20H19F2N7O2 MolecularWeight: 427.407366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19F2N7O2/c21-15-5-3-4-14(17(15)22)12-24-19-18(29(30)31)20(26-13-25-19)28-10-8-27(9-11-28)16-6-1-2-7-23-16/h1-7,13H,8-12H2,(H,24,25,26)