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

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 3-phenylbutanoate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 3-phenylbutanoate CAS Name: 3-phenylbutanoic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl 3-phenylbutanoate Traditional Name: 3-phenylbutyric acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C23H30N4O4 MolecularWeight: 426.5087

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O4/c1-4-6-13-27-21-20(22(29)25-23(27)30)26(12-5-2)18(24-21)15-31-19(28)14-16(3)17-10-8-7-9-11-17/h7-11,16H,4-6,12-15H2,1-3H3,(H,25,29,30)