N-[9-[3-[(2-oxidanylidenecyclopentyl)methoxymethyl]-5-phenylmethoxy-phenyl]purin-6-yl]ethanamide

Systemtic Name: N-[9-[3-[(2-oxidanylidenecyclopentyl)methoxymethyl]-5-phenylmethoxy-phenyl]purin-6-yl]ethanamide Openeye Name: N-[9-[3-benzyloxy-5-[(2-oxocyclopentyl)methoxymethyl]phenyl]purin-6-yl]acetamide CAS Name: N-[9-[3-[(2-oxocyclopentyl)methoxymethyl]-5-phenylmethoxyphenyl]-6-purinyl]acetamide IUPAC Name: N-[9-[3-[(2-oxocyclopentyl)methoxymethyl]-5-phenylmethoxyphenyl]purin-6-yl]acetamide Traditional Name: N-[9-[3-benzoxy-5-[(2-ketocyclopentyl)methoxymethyl]phenyl]purin-6-yl]acetamide Formula: C27H27N5O4 MolecularWeight: 485.53438

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC=NC2=C1N=CN2C3=CC(=CC(=C3)COCC4CCCC4=O)OCC5=CC=CC=C5

Isomeric SMILES

CC(=O)NC1=NC=NC2=C1N=CN2C3=CC(=CC(=C3)COCC4CCCC4=O)OCC5=CC=CC=C5

InChI

InChI=1S/C27H27N5O4/c1-18(33)31-26-25-27(29-16-28-26)32(17-30-25)22-10-20(13-35-15-21-8-5-9-24(21)34)11-23(12-22)36-14-19-6-3-2-4-7-19/h2-4,6-7,10-12,16-17,21H,5,8-9,13-15H2,1H3,(H,28,29,31,33)