2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(4-phenylmethoxyphenyl)ethanamide

Systemtic Name: 2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(4-phenylmethoxyphenyl)ethanamide Openeye Name: N-(4-benzyloxyphenyl)-2-(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)acetamide CAS Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(4-phenylmethoxyphenyl)acetamide IUPAC Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylmethoxyphenyl)acetamide Traditional Name: N-(4-benzoxyphenyl)-2-(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)acetamide Formula: C22H20ClN5O4 MolecularWeight: 453.8783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C22H20ClN5O4/c1-26-19-18(20(30)27(2)22(26)31)28(21(23)25-19)12-17(29)24-15-8-10-16(11-9-15)32-13-14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H,24,29)