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

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(1-ethylbenzimidazol-2-yl)propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-(1-ethylbenzimidazol-2-yl)propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-(1-ethyl-2-benzimidazolyl)propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(1-ethylbenzimidazol-2-yl)propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-(1-ethylbenzimidazol-2-yl)propionamide Formula: C26H35N7O3 MolecularWeight: 493.6012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=NC4=CC=CC=C4N3CC

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=NC4=CC=CC=C4N3CC

InChI

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