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

Systemtic Name: [(1R,2S,3S,4R)-4-(6-benzamidopurin-9-yl)-3-oxidanyl-2-phenylmethoxy-cyclopentyl]methyl ethanoate Openeye Name: [(1R,2S,3S,4R)-4-(6-benzamidopurin-9-yl)-2-benzyloxy-3-hydroxy-cyclopentyl]methyl acetate CAS Name: acetic acid [(1R,2S,3S,4R)-4-(6-benzamido-9-purinyl)-3-hydroxy-2-phenylmethoxycyclopentyl]methyl ester IUPAC Name: [(1R,2S,3S,4R)-4-(6-benzamidopurin-9-yl)-3-hydroxy-2-phenylmethoxycyclopentyl]methyl acetate Traditional Name: acetic acid [(1R,2S,3S,4R)-4-(6-benzamidopurin-9-yl)-2-benzoxy-3-hydroxy-cyclopentyl]methyl ester Formula: C27H27N5O5 MolecularWeight: 501.53378

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1CC(C(C1OCC2=CC=CC=C2)O)N3C=NC4=C3N=CN=C4NC(=O)C5=CC=CC=C5

Isomeric SMILES

CC(=O)OC[C@H]1C[C@H]([C@@H]([C@H]1OCC2=CC=CC=C2)O)N3C=NC4=C3N=CN=C4NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H27N5O5/c1-17(33)36-14-20-12-21(23(34)24(20)37-13-18-8-4-2-5-9-18)32-16-30-22-25(28-15-29-26(22)32)31-27(35)19-10-6-3-7-11-19/h2-11,15-16,20-21,23-24,34H,12-14H2,1H3,(H,28,29,31,35)/t20-,21-,23+,24+/m1/s1