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

Systemtic Name: 2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-(prop-2-enylcarbamoyl)ethanamide Openeye Name: N-(allylcarbamoyl)-2-(3-benzyl-7-ethyl-2,6-dioxo-purin-1-yl)acetamide CAS Name: 2-[7-ethyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]-N-[oxo-(prop-2-enylamino)methyl]acetamide IUPAC Name: 2-(3-benzyl-7-ethyl-2,6-dioxopurin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide Traditional Name: N-(allylcarbamoyl)-2-(3-benzyl-7-ethyl-2,6-diketo-purin-1-yl)acetamide Formula: C20H22N6O4 MolecularWeight: 410.42648

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)NC(=O)NCC=C

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC(=O)NCC=C

InChI

InChI=1S/C20H22N6O4/c1-3-10-21-19(29)23-15(27)12-26-18(28)16-17(22-13-24(16)4-2)25(20(26)30)11-14-8-6-5-7-9-14/h3,5-9,13H,1,4,10-12H2,2H3,(H2,21,23,27,29)