[4-acetyloxy-5-(6-aminopurin-9-yl)-3-(phenylmethylsulfanyl)oxolan-2-yl]methyl ethanoate

Systemtic Name: [4-acetyloxy-5-(6-aminopurin-9-yl)-3-(phenylmethylsulfanyl)oxolan-2-yl]methyl ethanoate Openeye Name: [4-acetoxy-5-(6-aminopurin-9-yl)-3-benzylsulfanyl-tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [4-acetyloxy-5-(6-aminopurin-9-yl)-3-(phenylmethylthio)-2-oxolanyl]methyl ester IUPAC Name: [4-acetyloxy-5-(6-aminopurin-9-yl)-3-benzylsulfanyloxolan-2-yl]methyl acetate Traditional Name: acetic acid [4-acetoxy-5-adenin-9-yl-3-(benzylthio)tetrahydrofuran-2-yl]methyl ester Formula: C21H23N5O5S MolecularWeight: 457.50282

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)OC(=O)C)SCC4=CC=CC=C4

Isomeric SMILES

CC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)OC(=O)C)SCC4=CC=CC=C4

InChI

InChI=1S/C21H23N5O5S/c1-12(27)29-8-15-18(32-9-14-6-4-3-5-7-14)17(30-13(2)28)21(31-15)26-11-25-16-19(22)23-10-24-20(16)26/h3-7,10-11,15,17-18,21H,8-9H2,1-2H3,(H2,22,23,24)