[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 4-(4-hydroxyphenyl)benzoate

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 4-(4-hydroxyphenyl)benzoate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 4-(4-hydroxyphenyl)benzoate CAS Name: 4-(4-hydroxyphenyl)benzoic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl 4-(4-hydroxyphenyl)benzoate Traditional Name: 4-(4-hydroxyphenyl)benzoic acid (3-butyl-2,6-diketo-7-propyl-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=C(C=C3)C4=CC=C(C=C4)O)CCC

Isomeric SMILES

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

InChI

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