[6-[2-[2-[2-[2-[2-[4-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,6-dimethoxy-phenoxy]ethanoylamino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2',4,4',5',7,7'-hexakis(chloranyl)-6'-(2-methylpropanoyloxy)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl] 2-methylpropanoate

Systemtic Name: [6-[2-[2-[2-[2-[2-[4-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,6-dimethoxy-phenoxy]ethanoylamino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2',4,4',5',7,7'-hexakis(chloranyl)-6'-(2-methylpropanoyloxy)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl] 2-methylpropanoate Openeye Name: [2',4,4',5',7,7'-hexachloro-6-[2-[2-[2-[2-[[2-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxy-phenoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-6'-(2-methylpropanoyloxy)-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-3'-yl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [2',4,4',5',7,7'-hexachloro-6-[[2-[2-[2-[2-[[2-[4-[(2,4-diamino-5-pyrimidinyl)methyl]-2,6-dimethoxyphenoxy]-1-oxoethyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-oxomethyl]-6'-(2-methyl-1-oxopropoxy)-3-oxo-3'-spiro[isobenzofuran-1,9'-xanthene]yl] ester IUPAC Name: [2',4,4',5',7,7'-hexachloro-6-[2-[2-[2-[2-[[2-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-6'-(2-methylpropanoyloxy)-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [2',4,4',5',7,7'-hexachloro-6-[2-[2-[2-[2-[[2-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxy-phenoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-6'-isobutyryloxy-3-keto-spiro[phthalan-1,9'-xanthene]-3'-yl] ester Formula: C52H52Cl6N6O15 MolecularWeight: 1213.71848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC1=C(C=C2C(=C1Cl)OC3=C(C(=C(C=C3C24C5=C(C(=CC(=C5C(=O)O4)Cl)C(=O)NCCOCCOCCOCCNC(=O)COC6=C(C=C(C=C6OC)CC7=CN=C(N=C7N)N)OC)Cl)Cl)OC(=O)C(C)C)Cl)Cl

Isomeric SMILES

CC(C)C(=O)OC1=C(C=C2C(=C1Cl)OC3=C(C(=C(C=C3C24C5=C(C(=CC(=C5C(=O)O4)Cl)C(=O)NCCOCCOCCOCCNC(=O)COC6=C(C=C(C=C6OC)CC7=CN=C(N=C7N)N)OC)Cl)Cl)OC(=O)C(C)C)Cl)Cl

InChI

InChI=1S/C52H52Cl6N6O15/c1-23(2)48(67)77-43-31(54)19-28-41(39(43)57)76-42-29(20-32(55)44(40(42)58)78-49(68)24(3)4)52(28)37-36(50(69)79-52)30(53)18-27(38(37)56)47(66)62-8-10-73-12-14-74-13-11-72-9-7-61-35(65)22-75-45-33(70-5)16-25(17-34(45)71-6)15-26-21-63-51(60)64-46(26)59/h16-21,23-24H,7-15,22H2,1-6H3,(H,61,65)(H,62,66)(H4,59,60,63,64)