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

Systemtic Name: N-(4-acetamido-3-chloranyl-phenyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide Openeye Name: N-(4-acetamido-3-chloro-phenyl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetamide CAS Name: N-(4-acetamido-3-chlorophenyl)-2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetamide IUPAC Name: N-(4-acetamido-3-chlorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide Traditional Name: N-(4-acetamido-3-chloro-phenyl)-2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetamide Formula: C17H17ClN6O4 MolecularWeight: 404.80768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)Cl

InChI

InChI=1S/C17H17ClN6O4/c1-9(25)20-12-5-4-10(6-11(12)18)21-13(26)7-24-8-19-15-14(24)16(27)23(3)17(28)22(15)2/h4-6,8H,7H2,1-3H3,(H,20,25)(H,21,26)