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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O4/c1-3-4-15-30-24-23(25(32)28-26(30)33)29(2)21(27-24)17-34-22(31)16-20(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20H,3-4,15-17H2,1-2H3,(H,28,32,33)