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

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-[2-(dimethylamino)phenyl]propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-[2-(dimethylamino)phenyl]propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-[2-(dimethylamino)phenyl]propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-[2-(dimethylamino)phenyl]propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-[2-(dimethylamino)phenyl]propionamide Formula: C25H36N6O3 MolecularWeight: 468.59174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=CC=CC=C3N(C)C

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=CC=CC=C3N(C)C

InChI

InChI=1S/C25H36N6O3/c1-5-7-11-17-30-20(14-15-21(32)26-18-12-9-10-13-19(18)29(3)4)27-23-22(30)24(33)28-25(34)31(23)16-8-6-2/h9-10,12-13H,5-8,11,14-17H2,1-4H3,(H,26,32)(H,28,33,34)