N'-[9-[(3aR,4R,6R,6aR)-6-[[[bis(phenylmethoxy)phosphoryl-(phenylmethyl)amino]-phenylmethoxy-phosphoryl]oxymethyl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-oxidanylidene-1-(phenylmethyl)purin-2-yl]-N,N-bis(phenylmethyl)methanimidamide

Systemtic Name: N'-[9-[(3aR,4R,6R,6aR)-6-[[[bis(phenylmethoxy)phosphoryl-(phenylmethyl)amino]-phenylmethoxy-phosphoryl]oxymethyl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-oxidanylidene-1-(phenylmethyl)purin-2-yl]-N,N-bis(phenylmethyl)methanimidamide Openeye Name: N'-[9-[(3aR,4R,6R,6aR)-6-[[[benzyl(dibenzyloxyphosphoryl)amino]-benzyloxy-phosphoryl]oxymethyl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1-benzyl-6-oxo-purin-2-yl]-N,N-dibenzyl-formamidine CAS Name: N'-[9-[(3aR,4R,6R,6aR)-6-[[[bis(phenylmethoxy)phosphoryl-(phenylmethyl)amino]-phenylmethoxyphosphoryl]oxymethyl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-oxo-1-(phenylmethyl)-2-purinyl]-N,N-bis(phenylmethyl)methanimidamide IUPAC Name: N'-[9-[(3aR,4R,6R,6aR)-6-[[[benzyl-bis(phenylmethoxy)phosphorylamino]-phenylmethoxyphosphoryl]oxymethyl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1-benzyl-6-oxopurin-2-yl]-N,N-dibenzylmethanimidamide Traditional Name: N'-[9-[(3aR,4R,6R,6aR)-6-[[benzoxy-[benzyl(dibenzoxyphosphoryl)amino]phosphoryl]oxymethyl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1-benzyl-6-keto-purin-2-yl]-N,N-dibenzyl-formamidine Formula: C67H63N7O10P2 MolecularWeight: 1188.205542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(N=C2N=CN(CC4=CC=CC=C4)CC5=CC=CC=C5)N(C=N3)C6C7C(C(O6)COP(=O)(N(CC8=CC=CC=C8)P(=O)(OCC9=CC=CC=C9)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OC(O7)C1=CC=CC=C1

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(N=C2/N=C/N(CC4=CC=CC=C4)CC5=CC=CC=C5)N(C=N3)[C@H]6[C@H]7[C@@H]([C@H](O6)COP(=O)(N(CC8=CC=CC=C8)P(=O)(OCC9=CC=CC=C9)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OC(O7)C1=CC=CC=C1

InChI

InChI=1S/C67H63N7O10P2/c75-64-60-63(70-67(72(64)43-53-29-13-3-14-30-53)69-49-71(41-51-25-9-1-10-26-51)42-52-27-11-2-12-28-52)73(50-68-60)65-62-61(83-66(84-62)58-39-23-8-24-40-58)59(82-65)48-81-86(77,80-47-57-37-21-7-22-38-57)74(44-54-31-15-4-16-32-54)85(76,78-45-55-33-17-5-18-34-55)79-46-56-35-19-6-20-36-56/h1-40,49-50,59,61-62,65-66H,41-48H2/b69-49+/t59-,61-,62-,65-,66?,86?/m1/s1