4-[3-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-8-yl]propanoylamino]benzamide

Systemtic Name: 4-[3-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-8-yl]propanoylamino]benzamide Openeye Name: 4-[3-(3,7-dibutyl-2,6-dioxo-purin-8-yl)propanoylamino]benzamide CAS Name: 4-[[3-(3,7-dibutyl-2,6-dioxo-8-purinyl)-1-oxopropyl]amino]benzamide IUPAC Name: 4-[3-(3,7-dibutyl-2,6-dioxopurin-8-yl)propanoylamino]benzamide Traditional Name: 4-[3-(3,7-dibutyl-2,6-diketo-purin-8-yl)propanoylamino]benzamide Formula: C23H30N6O4 MolecularWeight: 454.5221

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N6O4/c1-3-5-13-28-17(11-12-18(30)25-16-9-7-15(8-10-16)20(24)31)26-21-19(28)22(32)27-23(33)29(21)14-6-4-2/h7-10H,3-6,11-14H2,1-2H3,(H2,24,31)(H,25,30)(H,27,32,33)