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

Systemtic Name: 6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-N-(2-phenoxyethyl)pyrimidin-4-amine Openeye Name: 6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-N-(2-phenoxyethyl)pyrimidin-4-amine CAS Name: 6-[4-(2-fluorophenyl)-1-piperazinyl]-5-nitro-N-(2-phenoxyethyl)-4-pyrimidinamine IUPAC Name: 6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-N-(2-phenoxyethyl)pyrimidin-4-amine Traditional Name: [6-[4-(2-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(2-phenoxyethyl)amine Formula: C22H23FN6O3 MolecularWeight: 438.454823

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C3=C(C(=NC=N3)NCCOC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C3=C(C(=NC=N3)NCCOC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23FN6O3/c23-18-8-4-5-9-19(18)27-11-13-28(14-12-27)22-20(29(30)31)21(25-16-26-22)24-10-15-32-17-6-2-1-3-7-17/h1-9,16H,10-15H2,(H,24,25,26)