4-[2-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-1-yl]ethanoylamino]benzamide

Systemtic Name: 4-[2-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-1-yl]ethanoylamino]benzamide Openeye Name: 4-[[2-(3,7-dibutyl-2,6-dioxo-purin-1-yl)acetyl]amino]benzamide CAS Name: 4-[[2-(3,7-dibutyl-2,6-dioxo-1-purinyl)-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-(3,7-dibutyl-2,6-dioxopurin-1-yl)acetyl]amino]benzamide Traditional Name: 4-[[2-(3,7-dibutyl-2,6-diketo-purin-1-yl)acetyl]amino]benzamide Formula: C22H28N6O4 MolecularWeight: 440.49552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CC(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CC(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C22H28N6O4/c1-3-5-11-26-14-24-20-18(26)21(31)28(22(32)27(20)12-6-4-2)13-17(29)25-16-9-7-15(8-10-16)19(23)30/h7-10,14H,3-6,11-13H2,1-2H3,(H2,23,30)(H,25,29)