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

Systemtic Name: 2-[3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]propanoylamino]-N-propyl-benzamide Openeye Name: 2-[3-(3-butyl-7-isobutyl-2,6-dioxo-purin-8-yl)propanoylamino]-N-propyl-benzamide CAS Name: 2-[[3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]-1-oxopropyl]amino]-N-propylbenzamide IUPAC Name: 2-[3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]propanoylamino]-N-propylbenzamide Traditional Name: 2-[3-(3-butyl-7-isobutyl-2,6-diketo-purin-8-yl)propanoylamino]-N-propyl-benzamide Formula: C26H36N6O4 MolecularWeight: 496.60184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3=CC=CC=C3C(=O)NCCC)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3=CC=CC=C3C(=O)NCCC)CC(C)C

InChI

InChI=1S/C26H36N6O4/c1-5-7-15-31-23-22(25(35)30-26(31)36)32(16-17(3)4)20(29-23)12-13-21(33)28-19-11-9-8-10-18(19)24(34)27-14-6-2/h8-11,17H,5-7,12-16H2,1-4H3,(H,27,34)(H,28,33)(H,30,35,36)