[3-(6-benzamidopurin-9-yl)-2-fluoranyl-5-(phenylmethoxymethyl)cyclopentyl] benzoate

Systemtic Name: [3-(6-benzamidopurin-9-yl)-2-fluoranyl-5-(phenylmethoxymethyl)cyclopentyl] benzoate Openeye Name: [3-(6-benzamidopurin-9-yl)-5-(benzyloxymethyl)-2-fluoro-cyclopentyl] benzoate CAS Name: benzoic acid [3-(6-benzamido-9-purinyl)-2-fluoro-5-(phenylmethoxymethyl)cyclopentyl] ester IUPAC Name: [3-(6-benzamidopurin-9-yl)-2-fluoro-5-(phenylmethoxymethyl)cyclopentyl] benzoate Traditional Name: benzoic acid [3-(6-benzamidopurin-9-yl)-5-(benzoxymethyl)-2-fluoro-cyclopentyl] ester Formula: C32H28FN5O4 MolecularWeight: 565.594223

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C1N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)F)OC(=O)C5=CC=CC=C5)COCC6=CC=CC=C6

Isomeric SMILES

C1C(C(C(C1N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)F)OC(=O)C5=CC=CC=C5)COCC6=CC=CC=C6

InChI

InChI=1S/C32H28FN5O4/c33-26-25(38-20-36-27-29(34-19-35-30(27)38)37-31(39)22-12-6-2-7-13-22)16-24(18-41-17-21-10-4-1-5-11-21)28(26)42-32(40)23-14-8-3-9-15-23/h1-15,19-20,24-26,28H,16-18H2,(H,34,35,37,39)