[(1R,2R,3S,4R)-4-(6-benzamidopurin-9-yl)-2-oxidanyl-3-phenylmethoxy-cyclopentyl]methyl benzoate

Systemtic Name: [(1R,2R,3S,4R)-4-(6-benzamidopurin-9-yl)-2-oxidanyl-3-phenylmethoxy-cyclopentyl]methyl benzoate Openeye Name: [(1R,2R,3S,4R)-4-(6-benzamidopurin-9-yl)-3-benzyloxy-2-hydroxy-cyclopentyl]methyl benzoate CAS Name: benzoic acid [(1R,2R,3S,4R)-4-(6-benzamido-9-purinyl)-2-hydroxy-3-phenylmethoxycyclopentyl]methyl ester IUPAC Name: [(1R,2R,3S,4R)-4-(6-benzamidopurin-9-yl)-2-hydroxy-3-phenylmethoxycyclopentyl]methyl benzoate Traditional Name: benzoic acid [(1R,2R,3S,4R)-4-(6-benzamidopurin-9-yl)-3-benzoxy-2-hydroxy-cyclopentyl]methyl ester Formula: C32H29N5O5 MolecularWeight: 563.60316

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C1N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)OCC5=CC=CC=C5)O)COC(=O)C6=CC=CC=C6

Isomeric SMILES

C1[C@@H]([C@H]([C@H]([C@@H]1N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)OCC5=CC=CC=C5)O)COC(=O)C6=CC=CC=C6

InChI

InChI=1S/C32H29N5O5/c38-27-24(18-42-32(40)23-14-8-3-9-15-23)16-25(28(27)41-17-21-10-4-1-5-11-21)37-20-35-26-29(33-19-34-30(26)37)36-31(39)22-12-6-2-7-13-22/h1-15,19-20,24-25,27-28,38H,16-18H2,(H,33,34,36,39)/t24-,25-,27-,28+/m1/s1