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

Systemtic Name: 3-[3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]propanoylamino]benzamide Openeye Name: 3-[3-(3-butyl-7-isobutyl-2,6-dioxo-purin-8-yl)propanoylamino]benzamide CAS Name: 3-[[3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]-1-oxopropyl]amino]benzamide IUPAC Name: 3-[3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]propanoylamino]benzamide Traditional Name: 3-[3-(3-butyl-7-isobutyl-2,6-diketo-purin-8-yl)propanoylamino]benzamide Formula: C23H30N6O4 MolecularWeight: 454.5221

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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)N)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H30N6O4/c1-4-5-11-28-21-19(22(32)27-23(28)33)29(13-14(2)3)17(26-21)9-10-18(30)25-16-8-6-7-15(12-16)20(24)31/h6-8,12,14H,4-5,9-11,13H2,1-3H3,(H2,24,31)(H,25,30)(H,27,32,33)