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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3=CC=CC(=C3)C(=O)NCC)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3=CC=CC(=C3)C(=O)NCC)CC(C)C

InChI

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