[5-(6-azanyl-2-chloranyl-purin-9-yl)-4-fluoranyl-2-[(triphenylmethyl)oxymethyl]oxolan-3-yl] phenoxysulfanylmethanoate

Systemtic Name: [5-(6-azanyl-2-chloranyl-purin-9-yl)-4-fluoranyl-2-[(triphenylmethyl)oxymethyl]oxolan-3-yl] phenoxysulfanylmethanoate Openeye Name: [5-(6-amino-2-chloro-purin-9-yl)-4-fluoro-2-(trityloxymethyl)tetrahydrofuran-3-yl] phenoxysulfanylformate CAS Name: (phenoxythio)formic acid [5-(6-amino-2-chloro-9-purinyl)-4-fluoro-2-[(triphenylmethyl)oxymethyl]-3-oxolanyl] ester IUPAC Name: [5-(6-amino-2-chloropurin-9-yl)-4-fluoro-2-(trityloxymethyl)oxolan-3-yl] phenoxysulfanylformate Traditional Name: (phenoxythio)formic acid [5-(6-amino-2-chloro-purin-9-yl)-4-fluoro-2-(trityloxymethyl)tetrahydrofuran-3-yl] ester Formula: C36H29ClFN5O5S MolecularWeight: 698.162363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC4C(C(C(O4)N5C=NC6=C5N=C(N=C6N)Cl)F)OC(=O)SOC7=CC=CC=C7

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC4C(C(C(O4)N5C=NC6=C5N=C(N=C6N)Cl)F)OC(=O)SOC7=CC=CC=C7

InChI

InChI=1S/C36H29ClFN5O5S/c37-34-41-31(39)29-32(42-34)43(22-40-29)33-28(38)30(47-35(44)49-48-26-19-11-4-12-20-26)27(46-33)21-45-36(23-13-5-1-6-14-23,24-15-7-2-8-16-24)25-17-9-3-10-18-25/h1-20,22,27-28,30,33H,21H2,(H2,39,41,42)