2-phenylmethoxyethyl 3-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]benzoate

Systemtic Name: 2-phenylmethoxyethyl 3-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]benzoate Openeye Name: 2-benzyloxyethyl 3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]benzoate CAS Name: 3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]benzoic acid 2-phenylmethoxyethyl ester IUPAC Name: 2-phenylmethoxyethyl 3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]benzoate Traditional Name: 3-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]benzoic acid 2-benzoxyethyl ester Formula: C26H29N5O5 MolecularWeight: 491.53896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=C3)C(=O)OCCOCC4=CC=CC=C4

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=C3)C(=O)OCCOCC4=CC=CC=C4

InChI

InChI=1S/C26H29N5O5/c1-2-3-12-36-25-29-22(27)21-23(30-25)31(26(33)28-21)16-19-10-7-11-20(15-19)24(32)35-14-13-34-17-18-8-5-4-6-9-18/h4-11,15H,2-3,12-14,16-17H2,1H3,(H,28,33)(H2,27,29,30)