[(2R)-1-[3-[4-[[1-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]pyrazol-4-yl]amino]quinazolin-7-yl]oxypropyl]pyrrolidin-2-yl]methyl dihydrogen phosphate

Systemtic Name: [(2R)-1-[3-[4-[[1-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]pyrazol-4-yl]amino]quinazolin-7-yl]oxypropyl]pyrrolidin-2-yl]methyl dihydrogen phosphate Openeye Name: [(2R)-1-[3-[4-[[1-[2-(3-fluoroanilino)-2-oxo-ethyl]pyrazol-4-yl]amino]quinazolin-7-yl]oxypropyl]pyrrolidin-2-yl]methyl dihydrogen phosphate CAS Name: [(2R)-1-[3-[[4-[[1-[2-(3-fluoroanilino)-2-oxoethyl]-4-pyrazolyl]amino]-7-quinazolinyl]oxy]propyl]-2-pyrrolidinyl]methyl dihydrogen phosphate IUPAC Name: [(2R)-1-[3-[4-[[1-[2-(3-fluoroanilino)-2-oxoethyl]pyrazol-4-yl]amino]quinazolin-7-yl]oxypropyl]pyrrolidin-2-yl]methyl dihydrogen phosphate Traditional Name: [(2R)-1-[3-[4-[[1-[2-(3-fluoroanilino)-2-keto-ethyl]pyrazol-4-yl]amino]quinazolin-7-yl]oxypropyl]pyrrolidin-2-yl]methyl dihydrogen phosphate Formula: C27H31FN7O6P MolecularWeight: 599.550504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31FN7O6P/c28-19-4-1-5-20(12-19)32-26(36)16-35-15-21(14-31-35)33-27-24-8-7-23(13-25(24)29-18-30-27)40-11-3-10-34-9-2-6-22(34)17-41-42(37,38)39/h1,4-5,7-8,12-15,18,22H,2-3,6,9-11,16-17H2,(H,32,36)(H,29,30,33)(H2,37,38,39)/t22-/m1/s1