2-[4-[4-[[5-[2-[[2,3-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]oxybutyl-methyl-amino]ethyl dihydrogen phosphate

Systemtic Name: 2-[4-[4-[[5-[2-[[2,3-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]oxybutyl-methyl-amino]ethyl dihydrogen phosphate Openeye Name: 2-[4-[4-[[5-[2-(2,3-difluoroanilino)-2-oxo-ethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]oxybutyl-methyl-amino]ethyl dihydrogen phosphate CAS Name: 2-[4-[[4-[[5-[2-(2,3-difluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]-7-quinazolinyl]oxy]butyl-methylamino]ethyl dihydrogen phosphate IUPAC Name: 2-[4-[4-[[5-[2-(2,3-difluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]oxybutyl-methylamino]ethyl dihydrogen phosphate Traditional Name: 2-[4-[4-[[5-[2-(2,3-difluoroanilino)-2-keto-ethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]oxybutyl-methyl-amino]ethyl dihydrogen phosphate Formula: C26H30F2N7O6P MolecularWeight: 605.530267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCOC1=CC2=C(C=C1)C(=NC=N2)NC3=NNC(=C3)CC(=O)NC4=C(C(=CC=C4)F)F)CCOP(=O)(O)O

Isomeric SMILES

CN(CCCCOC1=CC2=C(C=C1)C(=NC=N2)NC3=NNC(=C3)CC(=O)NC4=C(C(=CC=C4)F)F)CCOP(=O)(O)O

InChI

InChI=1S/C26H30F2N7O6P/c1-35(10-12-41-42(37,38)39)9-2-3-11-40-18-7-8-19-22(15-18)29-16-30-26(19)32-23-13-17(33-34-23)14-24(36)31-21-6-4-5-20(27)25(21)28/h4-8,13,15-16H,2-3,9-12,14H2,1H3,(H,31,36)(H2,37,38,39)(H2,29,30,32,33,34)