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

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-phenylbutanoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 2-phenylbutanoate CAS Name: 2-phenylbutanoic 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-phenylbutanoate Traditional Name: 2-phenylbutyric acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O4/c1-4-7-13-26-19-18(20(27)24-22(26)29)25(6-3)17(23-19)14-30-21(28)16(5-2)15-11-9-8-10-12-15/h8-12,16H,4-7,13-14H2,1-3H3,(H,24,27,29)