2-[3-[4-[[2-[(3-chloranyl-4-fluoranyl-phenyl)carbonylamino]pyrimidin-5-yl]amino]-6-methoxy-quinazolin-7-yl]oxypropyl-ethyl-amino]ethyl dihydrogen phosphate

Systemtic Name: 2-[3-[4-[[2-[(3-chloranyl-4-fluoranyl-phenyl)carbonylamino]pyrimidin-5-yl]amino]-6-methoxy-quinazolin-7-yl]oxypropyl-ethyl-amino]ethyl dihydrogen phosphate Openeye Name: 2-[3-[4-[[2-[(3-chloro-4-fluoro-benzoyl)amino]pyrimidin-5-yl]amino]-6-methoxy-quinazolin-7-yl]oxypropyl-ethyl-amino]ethyl dihydrogen phosphate CAS Name: 2-[3-[[4-[[2-[[(3-chloro-4-fluorophenyl)-oxomethyl]amino]-5-pyrimidinyl]amino]-6-methoxy-7-quinazolinyl]oxy]propyl-ethylamino]ethyl dihydrogen phosphate IUPAC Name: 2-[3-[4-[[2-[(3-chloro-4-fluorobenzoyl)amino]pyrimidin-5-yl]amino]-6-methoxyquinazolin-7-yl]oxypropyl-ethylamino]ethyl dihydrogen phosphate Traditional Name: 2-[3-[4-[[2-[(3-chloro-4-fluoro-benzoyl)amino]pyrimidin-5-yl]amino]-6-methoxy-quinazolin-7-yl]oxypropyl-ethyl-amino]ethyl dihydrogen phosphate Formula: C27H30ClFN7O7P MolecularWeight: 649.994964

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CN=C(N=C3)NC(=O)C4=CC(=C(C=C4)F)Cl)OC)CCOP(=O)(O)O

Isomeric SMILES

CCN(CCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CN=C(N=C3)NC(=O)C4=CC(=C(C=C4)F)Cl)OC)CCOP(=O)(O)O

InChI

InChI=1S/C27H30ClFN7O7P/c1-3-36(8-10-43-44(38,39)40)7-4-9-42-24-13-22-19(12-23(24)41-2)25(33-16-32-22)34-18-14-30-27(31-15-18)35-26(37)17-5-6-21(29)20(28)11-17/h5-6,11-16H,3-4,7-10H2,1-2H3,(H,32,33,34)(H2,38,39,40)(H,30,31,35,37)