9-[(3aR,4R,6R,6aR)-6-[bis(phenylsulfanyl)phosphoryloxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1-[6-[(4-methoxyphenyl)-diphenyl-methoxy]hexyl]purin-6-imine

Systemtic Name: 9-[(3aR,4R,6R,6aR)-6-[bis(phenylsulfanyl)phosphoryloxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1-[6-[(4-methoxyphenyl)-diphenyl-methoxy]hexyl]purin-6-imine Openeye Name: 9-[(3aR,4R,6R,6aR)-6-[bis(phenylsulfanyl)phosphoryloxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1-[6-[(4-methoxyphenyl)-diphenyl-methoxy]hexyl]purin-6-imine CAS Name: 9-[(3aR,4R,6R,6aR)-6-[bis(phenylthio)phosphoryloxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1-[6-[(4-methoxyphenyl)-diphenylmethoxy]hexyl]-6-purinimine IUPAC Name: 9-[(3aR,4R,6R,6aR)-6-[bis(phenylsulfanyl)phosphoryloxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1-[6-[(4-methoxyphenyl)-diphenylmethoxy]hexyl]purin-6-imine Traditional Name: [9-[(3aR,4R,6R,6aR)-6-[bis(phenylthio)phosphoryloxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1-[6-[(4-methoxyphenyl)-diphenyl-methoxy]hexyl]purin-6-ylidene]amine Formula: C51H54N5O7PS2 MolecularWeight: 944.107521

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(OC(C2O1)N3C=NC4=C3N=CN(C4=N)CCCCCCOC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=C(C=C7)OC)COP(=O)(SC8=CC=CC=C8)SC9=CC=CC=C9)C

Isomeric SMILES

CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=NC4=C3N=CN(C4=N)CCCCCCOC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=C(C=C7)OC)COP(=O)(SC8=CC=CC=C8)SC9=CC=CC=C9)C

InChI

InChI=1S/C51H54N5O7PS2/c1-50(2)62-45-43(34-60-64(57,65-41-24-14-8-15-25-41)66-42-26-16-9-17-27-42)61-49(46(45)63-50)56-36-53-44-47(52)55(35-54-48(44)56)32-18-4-5-19-33-59-51(37-20-10-6-11-21-37,38-22-12-7-13-23-38)39-28-30-40(58-3)31-29-39/h6-17,20-31,35-36,43,45-46,49,52H,4-5,18-19,32-34H2,1-3H3/t43-,45-,46-,49-/m1/s1