[2-azanyl-4-[5-[5-[3,5-bis(fluoranyl)phenyl]pent-1-ynyl]thiophen-2-yl]-2-methyl-butyl] dihydrogen phosphate

Systemtic Name: [2-azanyl-4-[5-[5-[3,5-bis(fluoranyl)phenyl]pent-1-ynyl]thiophen-2-yl]-2-methyl-butyl] dihydrogen phosphate Openeye Name: [2-amino-4-[5-[5-(3,5-difluorophenyl)pent-1-ynyl]-2-thienyl]-2-methyl-butyl] dihydrogen phosphate CAS Name: [2-amino-4-[5-[5-(3,5-difluorophenyl)pent-1-ynyl]-2-thiophenyl]-2-methylbutyl] dihydrogen phosphate IUPAC Name: [2-amino-4-[5-[5-(3,5-difluorophenyl)pent-1-ynyl]thiophen-2-yl]-2-methylbutyl] dihydrogen phosphate Traditional Name: [2-amino-4-[5-[5-(3,5-difluorophenyl)pent-1-ynyl]-2-thienyl]-2-methyl-butyl] dihydrogen phosphate Formula: C20H24F2NO4PS MolecularWeight: 443.444427

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(S1)C#CCCCC2=CC(=CC(=C2)F)F)(COP(=O)(O)O)N

Isomeric SMILES

CC(CCC1=CC=C(S1)C#CCCCC2=CC(=CC(=C2)F)F)(COP(=O)(O)O)N

InChI

InChI=1S/C20H24F2NO4PS/c1-20(23,14-27-28(24,25)26)10-9-19-8-7-18(29-19)6-4-2-3-5-15-11-16(21)13-17(22)12-15/h7-8,11-13H,2-3,5,9-10,14,23H2,1H3,(H2,24,25,26)