2-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-1-yl]-N-(4-phenylbutan-2-yl)ethanamide

Systemtic Name: 2-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-1-yl]-N-(4-phenylbutan-2-yl)ethanamide Openeye Name: 2-(3,7-dibutyl-2,6-dioxo-purin-1-yl)-N-(1-methyl-3-phenyl-propyl)acetamide CAS Name: 2-(3,7-dibutyl-2,6-dioxo-1-purinyl)-N-(4-phenylbutan-2-yl)acetamide IUPAC Name: 2-(3,7-dibutyl-2,6-dioxopurin-1-yl)-N-(4-phenylbutan-2-yl)acetamide Traditional Name: 2-(3,7-dibutyl-2,6-diketo-purin-1-yl)-N-(1-methyl-3-phenyl-propyl)acetamide Formula: C25H35N5O3 MolecularWeight: 453.5771

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CC(=O)NC(C)CCC3=CC=CC=C3

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CC(=O)NC(C)CCC3=CC=CC=C3

InChI

InChI=1S/C25H35N5O3/c1-4-6-15-28-18-26-23-22(28)24(32)30(25(33)29(23)16-7-5-2)17-21(31)27-19(3)13-14-20-11-9-8-10-12-20/h8-12,18-19H,4-7,13-17H2,1-3H3,(H,27,31)