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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=CC=CC=C3C(=O)NC

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=CC=CC=C3C(=O)NC

InChI

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