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

Systemtic Name: 2-[[3-butyl-7-(3-methylbutyl)-2,6-bis(oxidanylidene)purin-8-yl]methylamino]benzamide Openeye Name: 2-[(3-butyl-7-isopentyl-2,6-dioxo-purin-8-yl)methylamino]benzamide CAS Name: 2-[[3-butyl-7-(3-methylbutyl)-2,6-dioxo-8-purinyl]methylamino]benzamide IUPAC Name: 2-[[3-butyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]methylamino]benzamide Traditional Name: 2-[(3-butyl-7-isoamyl-2,6-diketo-purin-8-yl)methylamino]benzamide Formula: C22H30N6O3 MolecularWeight: 426.512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNC3=CC=CC=C3C(=O)N)CCC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNC3=CC=CC=C3C(=O)N)CCC(C)C

InChI

InChI=1S/C22H30N6O3/c1-4-5-11-28-20-18(21(30)26-22(28)31)27(12-10-14(2)3)17(25-20)13-24-16-9-7-6-8-15(16)19(23)29/h6-9,14,24H,4-5,10-13H2,1-3H3,(H2,23,29)(H,26,30,31)