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

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-(phenylcarbonyl)benzoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 2-benzoylbenzoate CAS Name: 2-benzoylbenzoic 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-benzoylbenzoate Traditional Name: 2-benzoylbenzoic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C26H26N4O5 MolecularWeight: 474.50844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC=CC=C3C(=O)C4=CC=CC=C4)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC=CC=C3C(=O)C4=CC=CC=C4)CC

InChI

InChI=1S/C26H26N4O5/c1-3-5-15-30-23-21(24(32)28-26(30)34)29(4-2)20(27-23)16-35-25(33)19-14-10-9-13-18(19)22(31)17-11-7-6-8-12-17/h6-14H,3-5,15-16H2,1-2H3,(H,28,32,34)