[3-[(2-benzamido-6-oxidanylidene-3H-purin-9-yl)methyl]-4-phenylmethoxy-butyl] benzoate

Systemtic Name: [3-[(2-benzamido-6-oxidanylidene-3H-purin-9-yl)methyl]-4-phenylmethoxy-butyl] benzoate Openeye Name: [3-[(2-benzamido-6-oxo-3H-purin-9-yl)methyl]-4-benzyloxy-butyl] benzoate CAS Name: benzoic acid [3-[(2-benzamido-6-oxo-3H-purin-9-yl)methyl]-4-phenylmethoxybutyl] ester IUPAC Name: [3-[(2-benzamido-6-oxo-3H-purin-9-yl)methyl]-4-phenylmethoxybutyl] benzoate Traditional Name: benzoic acid [3-[(2-benzamido-6-keto-3H-purin-9-yl)methyl]-4-benzoxy-butyl] ester Formula: C31H29N5O5 MolecularWeight: 551.59246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(CCOC(=O)C2=CC=CC=C2)CN3C=NC4=C3NC(=NC4=O)NC(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COCC(CCOC(=O)C2=CC=CC=C2)CN3C=NC4=C3NC(=NC4=O)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H29N5O5/c37-28(24-12-6-2-7-13-24)34-31-33-27-26(29(38)35-31)32-21-36(27)18-23(20-40-19-22-10-4-1-5-11-22)16-17-41-30(39)25-14-8-3-9-15-25/h1-15,21,23H,16-20H2,(H2,33,34,35,37,38)