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

Systemtic Name: N-[2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanoyl]-2-phenyl-ethanamide Openeye Name: N-[2-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-9-yl)acetyl]-2-phenyl-acetamide CAS Name: N-[2-(8-bromo-1,3-dimethyl-2,6-dioxo-9-purinyl)-1-oxoethyl]-2-phenylacetamide IUPAC Name: N-[2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-9-yl)acetyl]-2-phenylacetamide Traditional Name: N-[2-(8-bromo-2,6-diketo-1,3-dimethyl-purin-9-yl)acetyl]-2-phenyl-acetamide Formula: C17H16BrN5O4 MolecularWeight: 434.24404

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)NC(=O)CC3=CC=CC=C3)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)NC(=O)CC3=CC=CC=C3)Br

InChI

InChI=1S/C17H16BrN5O4/c1-21-14-13(15(26)22(2)17(21)27)20-16(18)23(14)9-12(25)19-11(24)8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,19,24,25)