N-[2-[[4-azido-2,3,5,6-tetrakis(fluoranyl)phenyl]methyl-[2-[2-[2-[4-[(4-chloranyl-2-fluoranyl-phenyl)amino]-6-methoxy-quinazolin-7-yl]oxyethoxy]ethylamino]-2-oxidanylidene-ethyl]amino]ethyl]-5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide

Systemtic Name: N-[2-[[4-azido-2,3,5,6-tetrakis(fluoranyl)phenyl]methyl-[2-[2-[2-[4-[(4-chloranyl-2-fluoranyl-phenyl)amino]-6-methoxy-quinazolin-7-yl]oxyethoxy]ethylamino]-2-oxidanylidene-ethyl]amino]ethyl]-5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide Openeye Name: N-[2-[(4-azido-2,3,5,6-tetrafluoro-phenyl)methyl-[2-[2-[2-[4-(4-chloro-2-fluoro-anilino)-6-methoxy-quinazolin-7-yl]oxyethoxy]ethylamino]-2-oxo-ethyl]amino]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide CAS Name: N-[2-[(4-azido-2,3,5,6-tetrafluorophenyl)methyl-[2-[2-[2-[[4-(4-chloro-2-fluoroanilino)-6-methoxy-7-quinazolinyl]oxy]ethoxy]ethylamino]-2-oxoethyl]amino]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide IUPAC Name: N-[2-[(4-azido-2,3,5,6-tetrafluorophenyl)methyl-[2-[2-[2-[4-(4-chloro-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxyethoxy]ethylamino]-2-oxoethyl]amino]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide Traditional Name: N-[2-[(4-azido-2,3,5,6-tetrafluoro-benzyl)-[2-[2-[2-[4-(4-chloro-2-fluoro-anilino)-6-methoxy-quinazolin-7-yl]oxyethoxy]ethylamino]-2-keto-ethyl]amino]ethyl]-5-(2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl)valeramide Formula: C40H43ClF5N11O6S MolecularWeight: 936.349536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Cl)F)OCCOCCNC(=O)CN(CCNC(=O)CCCCC4C5C(CS4)NC(=O)N5)CC6=C(C(=C(C(=C6F)F)N=[N+]=[N-])F)F

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Cl)F)OCCOCCNC(=O)CN(CCNC(=O)CCCCC4C5C(CS4)NC(=O)N5)CC6=C(C(=C(C(=C6F)F)N=[N+]=[N-])F)F

InChI

InChI=1S/C40H43ClF5N11O6S/c1-61-28-15-22-26(50-20-51-39(22)52-25-7-6-21(41)14-24(25)42)16-29(28)63-13-12-62-11-9-49-32(59)18-57(17-23-33(43)35(45)38(55-56-47)36(46)34(23)44)10-8-48-31(58)5-3-2-4-30-37-27(19-64-30)53-40(60)54-37/h6-7,14-16,20,27,30,37H,2-5,8-13,17-19H2,1H3,(H,48,58)(H,49,59)(H,50,51,52)(H2,53,54,60)