3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]-N-(1-propylbenzimidazol-2-yl)propanamide

Systemtic Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]-N-(1-propylbenzimidazol-2-yl)propanamide Openeye Name: 3-(3-butyl-7-isobutyl-2,6-dioxo-purin-8-yl)-N-(1-propylbenzimidazol-2-yl)propanamide CAS Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]-N-(1-propyl-2-benzimidazolyl)propanamide IUPAC Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]-N-(1-propylbenzimidazol-2-yl)propanamide Traditional Name: 3-(3-butyl-7-isobutyl-2,6-diketo-purin-8-yl)-N-(1-propylbenzimidazol-2-yl)propionamide Formula: C26H35N7O3 MolecularWeight: 493.6012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3=NC4=CC=CC=C4N3CCC)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3=NC4=CC=CC=C4N3CCC)CC(C)C

InChI

InChI=1S/C26H35N7O3/c1-5-7-15-32-23-22(24(35)30-26(32)36)33(16-17(3)4)20(28-23)12-13-21(34)29-25-27-18-10-8-9-11-19(18)31(25)14-6-2/h8-11,17H,5-7,12-16H2,1-4H3,(H,27,29,34)(H,30,35,36)