[5-(2-azanyl-6-chloranyl-purin-9-yl)-4-fluoranyl-3-phenoxycarbothioyloxy-oxolan-2-yl]methyl benzoate

Systemtic Name: [5-(2-azanyl-6-chloranyl-purin-9-yl)-4-fluoranyl-3-phenoxycarbothioyloxy-oxolan-2-yl]methyl benzoate Openeye Name: [5-(2-amino-6-chloro-purin-9-yl)-4-fluoro-3-phenoxycarbothioyloxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [5-(2-amino-6-chloro-9-purinyl)-4-fluoro-3-[phenoxy(sulfanylidene)methoxy]-2-oxolanyl]methyl ester IUPAC Name: [5-(2-amino-6-chloropurin-9-yl)-4-fluoro-3-phenoxycarbothioyloxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [5-(2-amino-6-chloro-purin-9-yl)-4-fluoro-3-phenoxycarbothioyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C24H19ClFN5O5S MolecularWeight: 543.954563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=NC4=C3N=C(N=C4Cl)N)F)OC(=S)OC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=NC4=C3N=C(N=C4Cl)N)F)OC(=S)OC5=CC=CC=C5

InChI

InChI=1S/C24H19ClFN5O5S/c25-19-17-20(30-23(27)29-19)31(12-28-17)21-16(26)18(36-24(37)34-14-9-5-2-6-10-14)15(35-21)11-33-22(32)13-7-3-1-4-8-13/h1-10,12,15-16,18,21H,11H2,(H2,27,29,30)