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

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 3-phenylpropanoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 3-phenylpropanoate CAS Name: 3-phenylpropanoic 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-phenylpropanoate Traditional Name: 3-phenylpropionic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CCC3=CC=CC=C3)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CCC3=CC=CC=C3)CC

InChI

InChI=1S/C21H26N4O4/c1-3-5-13-25-19-18(20(27)23-21(25)28)24(4-2)16(22-19)14-29-17(26)12-11-15-9-7-6-8-10-15/h6-10H,3-5,11-14H2,1-2H3,(H,23,27,28)