[(2S)-1-[3-[4-[[1-[2-[[2,3-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl]pyrazol-4-yl]amino]-6-methoxy-quinazolin-7-yl]oxypropyl]pyrrolidin-2-yl]methyl dihydrogen phosphate

Systemtic Name: [(2S)-1-[3-[4-[[1-[2-[[2,3-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl]pyrazol-4-yl]amino]-6-methoxy-quinazolin-7-yl]oxypropyl]pyrrolidin-2-yl]methyl dihydrogen phosphate Openeye Name: [(2S)-1-[3-[4-[[1-[2-(2,3-difluoroanilino)-2-oxo-ethyl]pyrazol-4-yl]amino]-6-methoxy-quinazolin-7-yl]oxypropyl]pyrrolidin-2-yl]methyl dihydrogen phosphate CAS Name: [(2S)-1-[3-[[4-[[1-[2-(2,3-difluoroanilino)-2-oxoethyl]-4-pyrazolyl]amino]-6-methoxy-7-quinazolinyl]oxy]propyl]-2-pyrrolidinyl]methyl dihydrogen phosphate IUPAC Name: [(2S)-1-[3-[4-[[1-[2-(2,3-difluoroanilino)-2-oxoethyl]pyrazol-4-yl]amino]-6-methoxyquinazolin-7-yl]oxypropyl]pyrrolidin-2-yl]methyl dihydrogen phosphate Traditional Name: [(2S)-1-[3-[4-[[1-[2-(2,3-difluoroanilino)-2-keto-ethyl]pyrazol-4-yl]amino]-6-methoxy-quinazolin-7-yl]oxypropyl]pyrrolidin-2-yl]methyl dihydrogen phosphate Formula: C28H32F2N7O7P MolecularWeight: 647.566947

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CN(N=C3)CC(=O)NC4=C(C(=CC=C4)F)F)OCCCN5CCCC5COP(=O)(O)O

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CN(N=C3)CC(=O)NC4=C(C(=CC=C4)F)F)OCCCN5CCC[C@H]5COP(=O)(O)O

InChI

InChI=1S/C28H32F2N7O7P/c1-42-24-11-20-23(12-25(24)43-10-4-9-36-8-3-5-19(36)16-44-45(39,40)41)31-17-32-28(20)34-18-13-33-37(14-18)15-26(38)35-22-7-2-6-21(29)27(22)30/h2,6-7,11-14,17,19H,3-5,8-10,15-16H2,1H3,(H,35,38)(H,31,32,34)(H2,39,40,41)/t19-/m0/s1