2-[7-(2-methylpropyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-pentyl-ethanamide

Systemtic Name: 2-[7-(2-methylpropyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-pentyl-ethanamide Openeye Name: 2-(3-benzyl-7-isobutyl-2,6-dioxo-purin-1-yl)-N-pentyl-acetamide CAS Name: 2-[7-(2-methylpropyl)-2,6-dioxo-3-(phenylmethyl)-1-purinyl]-N-pentylacetamide IUPAC Name: 2-[3-benzyl-7-(2-methylpropyl)-2,6-dioxopurin-1-yl]-N-pentylacetamide Traditional Name: N-amyl-2-(3-benzyl-7-isobutyl-2,6-diketo-purin-1-yl)acetamide Formula: C23H31N5O3 MolecularWeight: 425.52394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)CN1C(=O)C2=C(N=CN2CC(C)C)N(C1=O)CC3=CC=CC=C3

Isomeric SMILES

CCCCCNC(=O)CN1C(=O)C2=C(N=CN2CC(C)C)N(C1=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H31N5O3/c1-4-5-9-12-24-19(29)15-28-22(30)20-21(25-16-26(20)13-17(2)3)27(23(28)31)14-18-10-7-6-8-11-18/h6-8,10-11,16-17H,4-5,9,12-15H2,1-3H3,(H,24,29)