4-[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]butan-1-ol

Systemtic Name: 4-[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]butan-1-ol Openeye Name: 4-[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]butan-1-ol CAS Name: 4-[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-butanol IUPAC Name: 4-[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]butan-1-ol Traditional Name: 4-[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]butan-1-ol Formula: C29H34N5O6PS2 MolecularWeight: 643.713921

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H34N5O6PS2/c1-29(2)39-24-22(17-37-41(36,42-20-11-5-3-6-12-20)43-21-13-7-4-8-14-21)38-28(25(24)40-29)34-19-31-23-26(30)33(15-9-10-16-35)18-32-27(23)34/h3-8,11-14,18-19,22,24-25,28,30,35H,9-10,15-17H2,1-2H3/t22-,24-,25-,28-/m1/s1