[5-(6-benzamidopurin-9-yl)-4-(phenylcarbonyloxy)-3-(phenylcarbonylsulfanyl)oxolan-2-yl]methyl benzoate

Systemtic Name: [5-(6-benzamidopurin-9-yl)-4-(phenylcarbonyloxy)-3-(phenylcarbonylsulfanyl)oxolan-2-yl]methyl benzoate Openeye Name: [5-(6-benzamidopurin-9-yl)-4-benzoyloxy-3-benzoylsulfanyl-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [5-(6-benzamido-9-purinyl)-4-benzoyloxy-3-(benzoylthio)-2-oxolanyl]methyl ester IUPAC Name: [5-(6-benzamidopurin-9-yl)-4-benzoyloxy-3-benzoylsulfanyloxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [5-(6-benzamidopurin-9-yl)-4-benzoyloxy-3-(benzoylthio)tetrahydrofuran-2-yl]methyl ester Formula: C38H29N5O7S MolecularWeight: 699.73116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=NC=NC3=C2N=CN3C4C(C(C(O4)COC(=O)C5=CC=CC=C5)SC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=NC=NC3=C2N=CN3C4C(C(C(O4)COC(=O)C5=CC=CC=C5)SC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7

InChI

InChI=1S/C38H29N5O7S/c44-34(24-13-5-1-6-14-24)42-32-29-33(40-22-39-32)43(23-41-29)35-30(50-37(46)26-17-9-3-10-18-26)31(51-38(47)27-19-11-4-12-20-27)28(49-35)21-48-36(45)25-15-7-2-8-16-25/h1-20,22-23,28,30-31,35H,21H2,(H,39,40,42,44)