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

Systemtic Name: N-(3-bromophenyl)-2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanamide Openeye Name: 2-(3-benzyl-7-ethyl-2,6-dioxo-purin-1-yl)-N-(3-bromophenyl)acetamide CAS Name: N-(3-bromophenyl)-2-[7-ethyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]acetamide IUPAC Name: 2-(3-benzyl-7-ethyl-2,6-dioxopurin-1-yl)-N-(3-bromophenyl)acetamide Traditional Name: 2-(3-benzyl-7-ethyl-2,6-diketo-purin-1-yl)-N-(3-bromophenyl)acetamide Formula: C22H20BrN5O3 MolecularWeight: 482.3299

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC4=CC(=CC=C4)Br

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C22H20BrN5O3/c1-2-26-14-24-20-19(26)21(30)28(13-18(29)25-17-10-6-9-16(23)11-17)22(31)27(20)12-15-7-4-3-5-8-15/h3-11,14H,2,12-13H2,1H3,(H,25,29)