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

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 3,3-diphenylpropanoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 3,3-diphenylpropanoate CAS Name: 3,3-diphenylpropanoic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 3,3-diphenylpropanoate Traditional Name: 3,3-diphenylpropionic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C27H30N4O4 MolecularWeight: 474.5515

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C27H30N4O4/c1-3-5-16-31-25-24(26(33)29-27(31)34)30(4-2)22(28-25)18-35-23(32)17-21(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,21H,3-5,16-18H2,1-2H3,(H,29,33,34)