[9-[2-carboxy-4-[2-[2-[2-[[4-[[[9-cyclopentyl-2-[2-[(4-fluorosulfonylphenyl)carbonylamino]ethylamino]purin-6-yl]amino]methyl]phenyl]carbonylamino]ethoxy]ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium

Systemtic Name: [9-[2-carboxy-4-[2-[2-[2-[[4-[[[9-cyclopentyl-2-[2-[(4-fluorosulfonylphenyl)carbonylamino]ethylamino]purin-6-yl]amino]methyl]phenyl]carbonylamino]ethoxy]ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium Openeye Name: [9-[2-carboxy-4-[2-[2-[2-[[4-[[[9-cyclopentyl-2-[2-[(4-fluorosulfonylbenzoyl)amino]ethylamino]purin-6-yl]amino]methyl]benzoyl]amino]ethoxy]ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-ammonium CAS Name: [9-[2-carboxy-4-[[2-[2-[2-[[[4-[[[9-cyclopentyl-2-[2-[[(4-fluorosulfonylphenyl)-oxomethyl]amino]ethylamino]-6-purinyl]amino]methyl]phenyl]-oxomethyl]amino]ethoxy]ethoxy]ethylamino]-oxomethyl]phenyl]-6-(dimethylamino)-3-xanthenylidene]-dimethylammonium IUPAC Name: [9-[2-carboxy-4-[2-[2-[2-[[4-[[[9-cyclopentyl-2-[2-[(4-fluorosulfonylbenzoyl)amino]ethylamino]purin-6-yl]amino]methyl]benzoyl]amino]ethoxy]ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium Traditional Name: [9-[2-carboxy-4-[2-[2-[2-[[4-[[[9-cyclopentyl-2-[2-[(4-fluorosulfonylbenzoyl)amino]ethylamino]purin-6-yl]amino]methyl]benzoyl]amino]ethoxy]ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-ammonium Formula: C58H63FN11O10S+ MolecularWeight: 1125.251923

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=C(C=C4)C(=O)NCCOCCOCCNC(=O)C5=CC=C(C=C5)CNC6=NC(=NC7=C6N=CN7C8CCCC8)NCCNC(=O)C9=CC=C(C=C9)S(=O)(=O)F)C(=O)O

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=C(C=C4)C(=O)NCCOCCOCCNC(=O)C5=CC=C(C=C5)CNC6=NC(=NC7=C6N=CN7C8CCCC8)NCCNC(=O)C9=CC=C(C=C9)S(=O)(=O)F)C(=O)O

InChI

InChI=1S/C58H62FN11O10S/c1-68(2)41-16-21-45-48(32-41)80-49-33-42(69(3)4)17-22-46(49)50(45)44-20-15-39(31-47(44)57(74)75)56(73)62-26-28-79-30-29-78-27-25-61-55(72)37-11-9-36(10-12-37)34-64-52-51-53(70(35-65-51)40-7-5-6-8-40)67-58(66-52)63-24-23-60-54(71)38-13-18-43(19-14-38)81(59,76)77/h9-22,31-33,35,40H,5-8,23-30,34H2,1-4H3,(H5-,60,61,62,63,64,66,67,71,72,73,74,75)/p+1