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

Systemtic Name: 2-[(2S)-1-[3-[4-[[5-[2-[[2,3-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]oxypropyl]pyrrolidin-2-yl]ethyl dihydrogen phosphate Openeye Name: 2-[(2S)-1-[3-[4-[[5-[2-(2,3-difluoroanilino)-2-oxo-ethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]oxypropyl]pyrrolidin-2-yl]ethyl dihydrogen phosphate CAS Name: 2-[(2S)-1-[3-[[4-[[5-[2-(2,3-difluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]-7-quinazolinyl]oxy]propyl]-2-pyrrolidinyl]ethyl dihydrogen phosphate IUPAC Name: 2-[(2S)-1-[3-[4-[[5-[2-(2,3-difluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]oxypropyl]pyrrolidin-2-yl]ethyl dihydrogen phosphate Traditional Name: 2-[(2S)-1-[3-[4-[[5-[2-(2,3-difluoroanilino)-2-keto-ethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]oxypropyl]pyrrolidin-2-yl]ethyl dihydrogen phosphate Formula: C28H32F2N7O6P MolecularWeight: 631.567547

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CCCOC2=CC3=C(C=C2)C(=NC=N3)NC4=NNC(=C4)CC(=O)NC5=C(C(=CC=C5)F)F)CCOP(=O)(O)O

Isomeric SMILES

C1C[C@H](N(C1)CCCOC2=CC3=C(C=C2)C(=NC=N3)NC4=NNC(=C4)CC(=O)NC5=C(C(=CC=C5)F)F)CCOP(=O)(O)O

InChI

InChI=1S/C28H32F2N7O6P/c29-22-5-1-6-23(27(22)30)33-26(38)15-18-14-25(36-35-18)34-28-21-8-7-20(16-24(21)31-17-32-28)42-12-3-11-37-10-2-4-19(37)9-13-43-44(39,40)41/h1,5-8,14,16-17,19H,2-4,9-13,15H2,(H,33,38)(H2,39,40,41)(H2,31,32,34,35,36)/t19-/m0/s1