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

Systemtic Name: N-(3-acetamidophenyl)-2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide Openeye Name: N-(3-acetamidophenyl)-2-(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)acetamide CAS Name: N-(3-acetamidophenyl)-2-(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)acetamide IUPAC Name: N-(3-acetamidophenyl)-2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide Traditional Name: N-(3-acetamidophenyl)-2-(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)acetamide Formula: C17H17ClN6O4 MolecularWeight: 404.80768

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

InChI

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