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

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-pentan-3-yl-propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-(1-ethylpropyl)propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-pentan-3-ylpropanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-pentan-3-ylpropanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-(1-ethylpropyl)propionamide Formula: C22H37N5O3 MolecularWeight: 419.56088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC(CC)CC

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC(CC)CC

InChI

InChI=1S/C22H37N5O3/c1-5-9-11-15-26-17(12-13-18(28)23-16(7-3)8-4)24-20-19(26)21(29)25-22(30)27(20)14-10-6-2/h16H,5-15H2,1-4H3,(H,23,28)(H,25,29,30)