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

Systemtic Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-bis(oxidanylidene)-7-propyl-purin-1-yl]-N-(2-ethoxyphenyl)ethanamide Openeye Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propyl-purin-1-yl]-N-(2-ethoxyphenyl)acetamide CAS Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propyl-1-purinyl]-N-(2-ethoxyphenyl)acetamide IUPAC Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propylpurin-1-yl]-N-(2-ethoxyphenyl)acetamide Traditional Name: 2-(3-butyl-2,6-diketo-8-methylol-7-propyl-purin-1-yl)-N-o-phenetyl-acetamide Formula: C23H31N5O5 MolecularWeight: 457.52274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)NC3=CC=CC=C3OCC)N(C(=N2)CO)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)NC3=CC=CC=C3OCC)N(C(=N2)CO)CCC

InChI

InChI=1S/C23H31N5O5/c1-4-7-13-27-21-20(26(12-5-2)18(15-29)25-21)22(31)28(23(27)32)14-19(30)24-16-10-8-9-11-17(16)33-6-3/h8-11,29H,4-7,12-15H2,1-3H3,(H,24,30)