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

Systemtic Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]-N-heptan-2-yl-propanamide Openeye Name: 3-(3-butyl-7-isobutyl-2,6-dioxo-purin-8-yl)-N-(1-methylhexyl)propanamide CAS Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]-N-heptan-2-ylpropanamide IUPAC Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]-N-heptan-2-ylpropanamide Traditional Name: 3-(3-butyl-7-isobutyl-2,6-diketo-purin-8-yl)-N-(1-methylhexyl)propionamide Formula: C23H39N5O3 MolecularWeight: 433.58746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H39N5O3/c1-6-8-10-11-17(5)24-19(29)13-12-18-25-21-20(28(18)15-16(3)4)22(30)26-23(31)27(21)14-9-7-2/h16-17H,6-15H2,1-5H3,(H,24,29)(H,26,30,31)