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

Systemtic Name: N-butyl-3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]-N-phenyl-propanamide Openeye Name: N-butyl-3-(3-butyl-7-isobutyl-2,6-dioxo-purin-8-yl)-N-phenyl-propanamide CAS Name: N-butyl-3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]-N-phenylpropanamide IUPAC Name: N-butyl-3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]-N-phenylpropanamide Traditional Name: N-butyl-3-(3-butyl-7-isobutyl-2,6-diketo-purin-8-yl)-N-phenyl-propionamide Formula: C26H37N5O3 MolecularWeight: 467.60368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)N(CCCC)C3=CC=CC=C3)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)N(CCCC)C3=CC=CC=C3)CC(C)C

InChI

InChI=1S/C26H37N5O3/c1-5-7-16-29(20-12-10-9-11-13-20)22(32)15-14-21-27-24-23(31(21)18-19(3)4)25(33)28-26(34)30(24)17-8-6-2/h9-13,19H,5-8,14-18H2,1-4H3,(H,28,33,34)