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

Systemtic Name: 4-[[3-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-8-yl]propanoylamino]methyl]benzamide Openeye Name: 4-[[3-(3,7-dibutyl-2,6-dioxo-purin-8-yl)propanoylamino]methyl]benzamide CAS Name: 4-[[[3-(3,7-dibutyl-2,6-dioxo-8-purinyl)-1-oxopropyl]amino]methyl]benzamide IUPAC Name: 4-[[3-(3,7-dibutyl-2,6-dioxopurin-8-yl)propanoylamino]methyl]benzamide Traditional Name: 4-[[3-(3,7-dibutyl-2,6-diketo-purin-8-yl)propanoylamino]methyl]benzamide Formula: C24H32N6O4 MolecularWeight: 468.54868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C24H32N6O4/c1-3-5-13-29-18(27-22-20(29)23(33)28-24(34)30(22)14-6-4-2)11-12-19(31)26-15-16-7-9-17(10-8-16)21(25)32/h7-10H,3-6,11-15H2,1-2H3,(H2,25,32)(H,26,31)(H,28,33,34)