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

Systemtic Name: 3-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-8-yl]-N-(1-propylbenzimidazol-2-yl)propanamide Openeye Name: 3-(3,7-dibutyl-2,6-dioxo-purin-8-yl)-N-(1-propylbenzimidazol-2-yl)propanamide CAS Name: 3-(3,7-dibutyl-2,6-dioxo-8-purinyl)-N-(1-propyl-2-benzimidazolyl)propanamide IUPAC Name: 3-(3,7-dibutyl-2,6-dioxopurin-8-yl)-N-(1-propylbenzimidazol-2-yl)propanamide Traditional Name: 3-(3,7-dibutyl-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:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=NC4=CC=CC=C4N3CCC

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=NC4=CC=CC=C4N3CCC

InChI

InChI=1S/C26H35N7O3/c1-4-7-16-32-20(28-23-22(32)24(35)30-26(36)33(23)17-8-5-2)13-14-21(34)29-25-27-18-11-9-10-12-19(18)31(25)15-6-3/h9-12H,4-8,13-17H2,1-3H3,(H,27,29,34)(H,30,35,36)