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

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2,2-diphenylethanoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 2,2-diphenylacetate CAS Name: 2,2-diphenylacetic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 2,2-diphenylacetate Traditional Name: 2,2-diphenylacetic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O4/c1-3-5-16-30-23-22(24(31)28-26(30)33)29(4-2)20(27-23)17-34-25(32)21(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,21H,3-5,16-17H2,1-2H3,(H,28,31,33)