4-[[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propyl-purin-1-yl]methyl]benzonitrile

Molecular Formula: C21H25N5O3


InChI: InChI=1/C21H25N5O3/c1-3-5-11-25-19-18(24(10-4-2)17(14-27)23-19)20(28)26(21(25)29)13-16-8-6-15(12-22)7-9-16/h6-9,27H,3-5,10-11,13-14H2,1-2H3

InChIKey: InChIKey=RTIXIMLCXOPVNE-UHFFFAOYAF
SMILES: CCCCN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)C#N)N(C(=N2)CO)CCC

Names:
    4-[[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propyl-purin-1-yl]methyl]benzonitrile

Registries:
    PubChem CID 4528800
    PubChem ID 10212966