[2-[1-[[2-azanyl-6-(4-methoxyphenyl)sulfanyl-purin-9-yl]methyl]-2-methyl-cyclopropyl]oxy-1,3-bis[(2-methylpropan-2-yl)oxycarbonyloxy]propan-2-yl]phosphonic acid

Systemtic Name: [2-[1-[[2-azanyl-6-(4-methoxyphenyl)sulfanyl-purin-9-yl]methyl]-2-methyl-cyclopropyl]oxy-1,3-bis[(2-methylpropan-2-yl)oxycarbonyloxy]propan-2-yl]phosphonic acid Openeye Name: [1-[1-[[2-amino-6-(4-methoxyphenyl)sulfanyl-purin-9-yl]methyl]-2-methyl-cyclopropoxy]-2-tert-butoxycarbonyloxy-1-(tert-butoxycarbonyloxymethyl)ethyl]phosphonic acid CAS Name: [2-[1-[[2-amino-6-[(4-methoxyphenyl)thio]-9-purinyl]methyl]-2-methylcyclopropyl]oxy-1,3-bis[(2-methylpropan-2-yl)oxy-oxomethoxy]propan-2-yl]phosphonic acid IUPAC Name: [2-[1-[[2-amino-6-(4-methoxyphenyl)sulfanylpurin-9-yl]methyl]-2-methylcyclopropyl]oxy-1,3-bis[(2-methylpropan-2-yl)oxycarbonyloxy]propan-2-yl]phosphonic acid Traditional Name: [1-[1-[[2-amino-6-[(4-methoxyphenyl)thio]purin-9-yl]methyl]-2-methyl-cyclopropoxy]-2-tert-butoxycarbonyloxy-1-(tert-butoxycarbonyloxymethyl)ethyl]phosphonic acid Formula: C30H42N5O11PS MolecularWeight: 711.720141

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC1(CN2C=NC3=C2N=C(N=C3SC4=CC=C(C=C4)OC)N)OC(COC(=O)OC(C)(C)C)(COC(=O)OC(C)(C)C)P(=O)(O)O

Isomeric SMILES

CC1CC1(CN2C=NC3=C2N=C(N=C3SC4=CC=C(C=C4)OC)N)OC(COC(=O)OC(C)(C)C)(COC(=O)OC(C)(C)C)P(=O)(O)O

InChI

InChI=1S/C30H42N5O11PS/c1-18-13-29(18,14-35-17-32-21-22(35)33-24(31)34-23(21)48-20-11-9-19(41-8)10-12-20)46-30(47(38,39)40,15-42-25(36)44-27(2,3)4)16-43-26(37)45-28(5,6)7/h9-12,17-18H,13-16H2,1-8H3,(H2,31,33,34)(H2,38,39,40)