[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-(phenoxymethyl)benzoate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-(phenoxymethyl)benzoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 2-(phenoxymethyl)benzoate CAS Name: 2-(phenoxymethyl)benzoic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 2-(phenoxymethyl)benzoate Traditional Name: 2-(phenoxymethyl)benzoic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C26H28N4O5 MolecularWeight: 476.52432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC=CC=C3COC4=CC=CC=C4)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC=CC=C3COC4=CC=CC=C4)CC

InChI

InChI=1S/C26H28N4O5/c1-3-5-15-30-23-22(24(31)28-26(30)33)29(4-2)21(27-23)17-35-25(32)20-14-10-9-11-18(20)16-34-19-12-7-6-8-13-19/h6-14H,3-5,15-17H2,1-2H3,(H,28,31,33)