2-azanyl-9-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]oxolan-3-yl]oxy-methyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]oxolan-3-yl]oxy-methyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]tetrahydrofuran-3-yl]oxy-methyl-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-oxolanyl]oxy-methylphosphoryl]oxymethyl]-4-hydroxy-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl]oxy-methylphosphoryl]oxymethyl]-4-hydroxyoxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]tetrahydrofuran-3-yl]oxy-methyl-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C41H45N8O11P MolecularWeight: 856.816761

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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)OCC4C(CC(O4)N5C=CC(=NC5=O)N)OP(=O)(C)OCC6C(CC(O6)N7C=NC8=C7NC(=NC8=O)N)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=NC5=O)N)OP(=O)(C)OC[C@@H]6[C@H](C[C@@H](O6)N7C=NC8=C7NC(=NC8=O)N)O

InChI

InChI=1S/C41H45N8O11P/c1-54-27-13-9-25(10-14-27)41(24-7-5-4-6-8-24,26-11-15-28(55-2)16-12-26)56-21-32-30(20-35(59-32)48-18-17-33(42)45-40(48)52)60-61(3,53)57-22-31-29(50)19-34(58-31)49-23-44-36-37(49)46-39(43)47-38(36)51/h4-18,23,29-32,34-35,50H,19-22H2,1-3H3,(H2,42,45,52)(H3,43,46,47,51)/t29-,30-,31+,32+,34+,35+,61?/m0/s1