2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]-N-(3-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]-N-(3-methylsulfanylphenyl)ethanamide Openeye Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-9-yl)-N-(3-methylsulfanylphenyl)acetamide CAS Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-9-purinyl)-N-[3-(methylthio)phenyl]acetamide IUPAC Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(3-methylsulfanylphenyl)acetamide Traditional Name: 2-(8-bromo-2,6-diketo-1,3-dimethyl-purin-9-yl)-N-[3-(methylthio)phenyl]acetamide Formula: C16H16BrN5O3S MolecularWeight: 438.29894

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)NC3=CC(=CC=C3)SC)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)NC3=CC(=CC=C3)SC)Br

InChI

InChI=1S/C16H16BrN5O3S/c1-20-13-12(14(24)21(2)16(20)25)19-15(17)22(13)8-11(23)18-9-5-4-6-10(7-9)26-3/h4-7H,8H2,1-3H3,(H,18,23)