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

Systemtic Name: 2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]-N-[(phenylmethyl)carbamoyl]ethanamide Openeye Name: N-(benzylcarbamoyl)-2-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-9-yl)acetamide CAS Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-9-purinyl)-N-[oxo-[(phenylmethyl)amino]methyl]acetamide IUPAC Name: N-(benzylcarbamoyl)-2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide Traditional Name: N-(benzylcarbamoyl)-2-(8-bromo-2,6-diketo-1,3-dimethyl-purin-9-yl)acetamide Formula: C17H17BrN6O4 MolecularWeight: 449.25868

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)NC(=O)NCC3=CC=CC=C3)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)NC(=O)NCC3=CC=CC=C3)Br

InChI

InChI=1S/C17H17BrN6O4/c1-22-13-12(14(26)23(2)17(22)28)21-15(18)24(13)9-11(25)20-16(27)19-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H2,19,20,25,27)