2-[2-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethylsulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[2-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethylsulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[2-(8-bromo-3-methyl-2,6-dioxo-purin-7-yl)ethylsulfanyl]-N-phenyl-acetamide CAS Name: 2-[2-(8-bromo-3-methyl-2,6-dioxo-7-purinyl)ethylthio]-N-phenylacetamide IUPAC Name: 2-[2-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)ethylsulfanyl]-N-phenylacetamide Traditional Name: 2-[2-(8-bromo-2,6-diketo-3-methyl-purin-7-yl)ethylthio]-N-phenyl-acetamide Formula: C16H16BrN5O3S MolecularWeight: 438.29894

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCSCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCSCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C16H16BrN5O3S/c1-21-13-12(14(24)20-16(21)25)22(15(17)19-13)7-8-26-9-11(23)18-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,18,23)(H,20,24,25)