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

Systemtic Name: 3-[[3-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-8-yl]propanoylamino]methyl]-N-methyl-benzamide Openeye Name: 3-[[3-(3,7-dibutyl-2,6-dioxo-purin-8-yl)propanoylamino]methyl]-N-methyl-benzamide CAS Name: 3-[[[3-(3,7-dibutyl-2,6-dioxo-8-purinyl)-1-oxopropyl]amino]methyl]-N-methylbenzamide IUPAC Name: 3-[[3-(3,7-dibutyl-2,6-dioxopurin-8-yl)propanoylamino]methyl]-N-methylbenzamide Traditional Name: 3-[[3-(3,7-dibutyl-2,6-diketo-purin-8-yl)propanoylamino]methyl]-N-methyl-benzamide Formula: C25H34N6O4 MolecularWeight: 482.57526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N6O4/c1-4-6-13-30-19(28-22-21(30)24(34)29-25(35)31(22)14-7-5-2)11-12-20(32)27-16-17-9-8-10-18(15-17)23(33)26-3/h8-10,15H,4-7,11-14,16H2,1-3H3,(H,26,33)(H,27,32)(H,29,34,35)