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

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-pentyl-propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-pentyl-propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-pentylpropanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-pentylpropanamide Traditional Name: N-amyl-3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)propionamide Formula: C22H37N5O3 MolecularWeight: 419.56088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)CCC1=NC2=C(N1CCCCC)C(=O)NC(=O)N2CCCC

Isomeric SMILES

CCCCCNC(=O)CCC1=NC2=C(N1CCCCC)C(=O)NC(=O)N2CCCC

InChI

InChI=1S/C22H37N5O3/c1-4-7-10-14-23-18(28)13-12-17-24-20-19(26(17)16-11-8-5-2)21(29)25-22(30)27(20)15-9-6-3/h4-16H2,1-3H3,(H,23,28)(H,25,29,30)