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

Systemtic Name: 2-[3-[3-[4-[[1-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]pyrazol-4-yl]amino]quinazolin-7-yl]oxypropyl-propyl-amino]propylamino]ethyl dihydrogen phosphate Openeye Name: 2-[3-[3-[4-[[1-[2-(3-fluoroanilino)-2-oxo-ethyl]pyrazol-4-yl]amino]quinazolin-7-yl]oxypropyl-propyl-amino]propylamino]ethyl dihydrogen phosphate CAS Name: 2-[3-[3-[[4-[[1-[2-(3-fluoroanilino)-2-oxoethyl]-4-pyrazolyl]amino]-7-quinazolinyl]oxy]propyl-propylamino]propylamino]ethyl dihydrogen phosphate IUPAC Name: 2-[3-[3-[4-[[1-[2-(3-fluoroanilino)-2-oxoethyl]pyrazol-4-yl]amino]quinazolin-7-yl]oxypropyl-propylamino]propylamino]ethyl dihydrogen phosphate Traditional Name: 2-[3-[3-[4-[[1-[2-(3-fluoroanilino)-2-keto-ethyl]pyrazol-4-yl]amino]quinazolin-7-yl]oxypropyl-propyl-amino]propylamino]ethyl dihydrogen phosphate Formula: C30H40FN8O6P MolecularWeight: 658.660764

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCNCCOP(=O)(O)O)CCCOC1=CC2=C(C=C1)C(=NC=N2)NC3=CN(N=C3)CC(=O)NC4=CC(=CC=C4)F

Isomeric SMILES

CCCN(CCCNCCOP(=O)(O)O)CCCOC1=CC2=C(C=C1)C(=NC=N2)NC3=CN(N=C3)CC(=O)NC4=CC(=CC=C4)F

InChI

InChI=1S/C30H40FN8O6P/c1-2-12-38(13-4-10-32-11-16-45-46(41,42)43)14-5-15-44-26-8-9-27-28(18-26)33-22-34-30(27)37-25-19-35-39(20-25)21-29(40)36-24-7-3-6-23(31)17-24/h3,6-9,17-20,22,32H,2,4-5,10-16,21H2,1H3,(H,36,40)(H,33,34,37)(H2,41,42,43)