S-[2-[[[5-(6-aminopurin-9-yl)oxolan-3-yl]amino]-[2-(phenylcarbonylsulfanyl)ethoxy]phosphoryl]oxyethyl] benzenecarbothioate

Systemtic Name: S-[2-[[[5-(6-aminopurin-9-yl)oxolan-3-yl]amino]-[2-(phenylcarbonylsulfanyl)ethoxy]phosphoryl]oxyethyl] benzenecarbothioate Openeye Name: S-[2-[[[5-(6-aminopurin-9-yl)tetrahydrofuran-3-yl]amino]-(2-benzoylsulfanylethoxy)phosphoryl]oxyethyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-[[[5-(6-aminopurin-9-yl)-3-oxolanyl]amino]-[2-(benzoylthio)ethoxy]phosphoryl]oxyethyl] ester IUPAC Name: S-[2-[[[5-(6-aminopurin-9-yl)oxolan-3-yl]amino]-(2-benzoylsulfanylethoxy)phosphoryl]oxyethyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-[[(5-adenin-9-yltetrahydrofuran-3-yl)amino]-[2-(benzoylthio)ethoxy]phosphoryl]oxyethyl] ester Formula: C27H29N6O6PS2 MolecularWeight: 628.659521

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COC1N2C=NC3=C2N=CN=C3N)NP(=O)(OCCSC(=O)C4=CC=CC=C4)OCCSC(=O)C5=CC=CC=C5

Isomeric SMILES

C1C(COC1N2C=NC3=C2N=CN=C3N)NP(=O)(OCCSC(=O)C4=CC=CC=C4)OCCSC(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H29N6O6PS2/c28-24-23-25(30-17-29-24)33(18-31-23)22-15-21(16-37-22)32-40(36,38-11-13-41-26(34)19-7-3-1-4-8-19)39-12-14-42-27(35)20-9-5-2-6-10-20/h1-10,17-18,21-22H,11-16H2,(H,32,36)(H2,28,29,30)