2-[3-butyl-8-(hydroxymethyl)-2,6-bis(oxidanylidene)-7-propyl-purin-1-yl]-N-(2-ethyl-6-methyl-phenyl)ethanamide

Systemtic Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-bis(oxidanylidene)-7-propyl-purin-1-yl]-N-(2-ethyl-6-methyl-phenyl)ethanamide Openeye Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propyl-purin-1-yl]-N-(2-ethyl-6-methyl-phenyl)acetamide CAS Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propyl-1-purinyl]-N-(2-ethyl-6-methylphenyl)acetamide IUPAC Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propylpurin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide Traditional Name: 2-(3-butyl-2,6-diketo-8-methylol-7-propyl-purin-1-yl)-N-(2-ethyl-6-methyl-phenyl)acetamide Formula: C24H33N5O4 MolecularWeight: 455.54992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)NC3=C(C=CC=C3CC)C)N(C(=N2)CO)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)NC3=C(C=CC=C3CC)C)N(C(=N2)CO)CCC

InChI

InChI=1S/C24H33N5O4/c1-5-8-13-28-22-21(27(12-6-2)18(15-30)25-22)23(32)29(24(28)33)14-19(31)26-20-16(4)10-9-11-17(20)7-3/h9-11,30H,5-8,12-15H2,1-4H3,(H,26,31)