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

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]ethanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-(3,7-dimethyl-2,6-dioxo-1-purinyl)acetamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-(2,6-diketo-3,7-dimethyl-purin-1-yl)acetamide Formula: C16H13ClN6O3 MolecularWeight: 372.76582

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)NC3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)NC3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C16H13ClN6O3/c1-21-8-19-14-13(21)15(25)23(16(26)22(14)2)7-12(24)20-10-4-3-9(6-18)11(17)5-10/h3-5,8H,7H2,1-2H3,(H,20,24)