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

Systemtic Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-bis(oxidanylidene)-7-propyl-purin-1-yl]-N-(2-methyl-6-propan-2-yl-phenyl)ethanamide Openeye Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propyl-purin-1-yl]-N-(2-isopropyl-6-methyl-phenyl)acetamide CAS Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propyl-1-purinyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide IUPAC Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propylpurin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide Traditional Name: 2-(3-butyl-2,6-diketo-8-methylol-7-propyl-purin-1-yl)-N-(2-isopropyl-6-methyl-phenyl)acetamide Formula: C25H35N5O4 MolecularWeight: 469.5765

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)NC3=C(C=CC=C3C(C)C)C)N(C(=N2)CO)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)NC3=C(C=CC=C3C(C)C)C)N(C(=N2)CO)CCC

InChI

InChI=1S/C25H35N5O4/c1-6-8-13-29-23-22(28(12-7-2)19(15-31)26-23)24(33)30(25(29)34)14-20(32)27-21-17(5)10-9-11-18(21)16(3)4/h9-11,16,31H,6-8,12-15H2,1-5H3,(H,27,32)