6-[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]-6-azanylidene-purin-1-yl]hexan-1-ol

Systemtic Name: 6-[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]-6-azanylidene-purin-1-yl]hexan-1-ol Openeye Name: 6-[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]-6-imino-purin-1-yl]hexan-1-ol CAS Name: 6-[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]-6-imino-1-purinyl]-1-hexanol IUPAC Name: 6-[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]-6-iminopurin-1-yl]hexan-1-ol Traditional Name: 6-[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]-6-imino-purin-1-yl]hexan-1-ol Formula: C31H38N5O6PS2 MolecularWeight: 671.767081

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(OC(C2O1)N3C=NC4=C3N=CN(C4=N)CCCCCCO)COP(=O)(SC5=CC=CC=C5)SC6=CC=CC=C6)C

Isomeric SMILES

CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=NC4=C3N=CN(C4=N)CCCCCCO)COP(=O)(SC5=CC=CC=C5)SC6=CC=CC=C6)C

InChI

InChI=1S/C31H38N5O6PS2/c1-31(2)41-26-24(19-39-43(38,44-22-13-7-5-8-14-22)45-23-15-9-6-10-16-23)40-30(27(26)42-31)36-21-33-25-28(32)35(20-34-29(25)36)17-11-3-4-12-18-37/h5-10,13-16,20-21,24,26-27,30,32,37H,3-4,11-12,17-19H2,1-2H3/t24-,26-,27-,30-/m1/s1