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

Systemtic Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-bis(oxidanylidene)-7-propyl-purin-1-yl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propyl-purin-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propyl-1-purinyl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propylpurin-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-(3-butyl-2,6-diketo-8-methylol-7-propyl-purin-1-yl)-N-(2-ethylphenyl)acetamide Formula: C23H31N5O4 MolecularWeight: 441.52334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O4/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)24-17-11-9-8-10-16(17)6-3/h8-11,29H,4-7,12-15H2,1-3H3,(H,24,30)