[2-[1-[[2-azanyl-6-(4-methoxyphenyl)sulfanyl-purin-9-yl]methyl]-2-methyl-cyclopropyl]oxy-1,3-bis(propan-2-yloxycarbonyloxy)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(propan-2-yloxycarbonyloxy)propan-2-yl]phosphonic acid Openeye Name: [1-[1-[[2-amino-6-(4-methoxyphenyl)sulfanyl-purin-9-yl]methyl]-2-methyl-cyclopropoxy]-2-isopropoxycarbonyloxy-1-(isopropoxycarbonyloxymethyl)ethyl]phosphonic acid CAS Name: [2-[1-[[2-amino-6-[(4-methoxyphenyl)thio]-9-purinyl]methyl]-2-methylcyclopropyl]oxy-1,3-bis[oxo(propan-2-yloxy)methoxy]propan-2-yl]phosphonic acid IUPAC Name: [2-[1-[[2-amino-6-(4-methoxyphenyl)sulfanylpurin-9-yl]methyl]-2-methylcyclopropyl]oxy-1,3-bis(propan-2-yloxycarbonyloxy)propan-2-yl]phosphonic acid Traditional Name: [1-[1-[[2-amino-6-[(4-methoxyphenyl)thio]purin-9-yl]methyl]-2-methyl-cyclopropoxy]-2-isopropoxycarbonyloxy-1-(isopropoxycarbonyloxymethyl)ethyl]phosphonic acid Formula: C28H38N5O11PS MolecularWeight: 683.666981

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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)(COC(=O)OC(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)(COC(=O)OC(C)C)P(=O)(O)O

InChI

InChI=1S/C28H38N5O11PS/c1-16(2)42-25(34)40-13-28(45(36,37)38,14-41-26(35)43-17(3)4)44-27(11-18(27)5)12-33-15-30-21-22(33)31-24(29)32-23(21)46-20-9-7-19(39-6)8-10-20/h7-10,15-18H,11-14H2,1-6H3,(H2,29,31,32)(H2,36,37,38)