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

Systemtic Name: N-butyl-3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]-N-ethyl-propanamide Openeye Name: N-butyl-3-(3-butyl-7-isobutyl-2,6-dioxo-purin-8-yl)-N-ethyl-propanamide CAS Name: N-butyl-3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]-N-ethylpropanamide IUPAC Name: N-butyl-3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]-N-ethylpropanamide Traditional Name: N-butyl-3-(3-butyl-7-isobutyl-2,6-diketo-purin-8-yl)-N-ethyl-propionamide Formula: C22H37N5O3 MolecularWeight: 419.56088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)N(CC)CCCC)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)N(CC)CCCC)CC(C)C

InChI

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