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

Systemtic Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]-N-pentyl-propanamide Openeye Name: 3-(3-butyl-7-isobutyl-2,6-dioxo-purin-8-yl)-N-pentyl-propanamide CAS Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]-N-pentylpropanamide IUPAC Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]-N-pentylpropanamide Traditional Name: N-amyl-3-(3-butyl-7-isobutyl-2,6-diketo-purin-8-yl)propionamide Formula: C21H35N5O3 MolecularWeight: 405.5343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)CCC1=NC2=C(N1CC(C)C)C(=O)NC(=O)N2CCCC

Isomeric SMILES

CCCCCNC(=O)CCC1=NC2=C(N1CC(C)C)C(=O)NC(=O)N2CCCC

InChI

InChI=1S/C21H35N5O3/c1-5-7-9-12-22-17(27)11-10-16-23-19-18(26(16)14-15(3)4)20(28)24-21(29)25(19)13-8-6-2/h15H,5-14H2,1-4H3,(H,22,27)(H,24,28,29)