4-[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-[2,2-bis(4-methoxyphenyl)-1-oxidanyl-2-phenyl-ethyl]oxolan-3-yl]oxy-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-[2,2-bis(4-methoxyphenyl)-1-oxidanyl-2-phenyl-ethyl]oxolan-3-yl]oxy-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(2-amino-6-oxo-3H-purin-9-yl)-2-[1-hydroxy-2,2-bis(4-methoxyphenyl)-2-phenyl-ethyl]tetrahydrofuran-3-yl]oxy-4-oxo-butanoic acid CAS Name: 4-[[5-(2-amino-6-oxo-3H-purin-9-yl)-2-[1-hydroxy-2,2-bis(4-methoxyphenyl)-2-phenylethyl]-3-oxolanyl]oxy]-4-oxobutanoic acid IUPAC Name: 4-[5-(2-amino-6-oxo-3H-purin-9-yl)-2-[1-hydroxy-2,2-bis(4-methoxyphenyl)-2-phenylethyl]oxolan-3-yl]oxy-4-oxobutanoic acid Traditional Name: 4-[5-(2-amino-6-keto-3H-purin-9-yl)-2-[1-hydroxy-2,2-bis(4-methoxyphenyl)-2-phenyl-ethyl]tetrahydrofuran-3-yl]oxy-4-keto-butyric acid Formula: C35H35N5O9 MolecularWeight: 669.6805

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C(C4C(CC(O4)N5C=NC6=C5NC(=NC6=O)N)OC(=O)CCC(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C(C4C(CC(O4)N5C=NC6=C5NC(=NC6=O)N)OC(=O)CCC(=O)O)O

InChI

InChI=1S/C35H35N5O9/c1-46-23-12-8-21(9-13-23)35(20-6-4-3-5-7-20,22-10-14-24(47-2)15-11-22)31(44)30-25(48-28(43)17-16-27(41)42)18-26(49-30)40-19-37-29-32(40)38-34(36)39-33(29)45/h3-15,19,25-26,30-31,44H,16-18H2,1-2H3,(H,41,42)(H3,36,38,39,45)