N-[2-[3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]propanoylamino]ethyl]-2-methyl-propanamide

Systemtic Name: N-[2-[3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]propanoylamino]ethyl]-2-methyl-propanamide Openeye Name: N-[2-[3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)propanoylamino]ethyl]-2-methyl-propanamide CAS Name: N-[2-[[3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-1-oxopropyl]amino]ethyl]-2-methylpropanamide IUPAC Name: N-[2-[3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)propanoylamino]ethyl]-2-methylpropanamide Traditional Name: N-[2-[3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)propanoylamino]ethyl]-2-methyl-propionamide Formula: C23H38N6O4 MolecularWeight: 462.58562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCCNC(=O)C(C)C

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCCNC(=O)C(C)C

InChI

InChI=1S/C23H38N6O4/c1-5-7-9-15-28-17(10-11-18(30)24-12-13-25-21(31)16(3)4)26-20-19(28)22(32)27-23(33)29(20)14-8-6-2/h16H,5-15H2,1-4H3,(H,24,30)(H,25,31)(H,27,32,33)