6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-N-(4-phenoxyphenyl)pyrimidin-4-amine

Systemtic Name: 6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-N-(4-phenoxyphenyl)pyrimidin-4-amine Openeye Name: 6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-N-(4-phenoxyphenyl)pyrimidin-4-amine CAS Name: 6-[4-(2-fluorophenyl)-1-piperazinyl]-5-nitro-N-(4-phenoxyphenyl)-4-pyrimidinamine IUPAC Name: 6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-N-(4-phenoxyphenyl)pyrimidin-4-amine Traditional Name: [6-[4-(2-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(4-phenoxyphenyl)amine Formula: C26H23FN6O3 MolecularWeight: 486.497623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C3=C(C(=NC=N3)NC4=CC=C(C=C4)OC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C3=C(C(=NC=N3)NC4=CC=C(C=C4)OC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H23FN6O3/c27-22-8-4-5-9-23(22)31-14-16-32(17-15-31)26-24(33(34)35)25(28-18-29-26)30-19-10-12-21(13-11-19)36-20-6-2-1-3-7-20/h1-13,18H,14-17H2,(H,28,29,30)