8-bromanyl-3-methyl-7-(2-phenylethanoyl)purine-2,6-dione

Systemtic Name: 8-bromanyl-3-methyl-7-(2-phenylethanoyl)purine-2,6-dione Openeye Name: 8-bromo-3-methyl-7-(2-phenylacetyl)purine-2,6-dione CAS Name: 8-bromo-3-methyl-7-(1-oxo-2-phenylethyl)purine-2,6-dione IUPAC Name: 8-bromo-3-methyl-7-(2-phenylacetyl)purine-2,6-dione Traditional Name: 8-bromo-3-methyl-7-(2-phenylacetyl)xanthine Formula: C14H11BrN4O3 MolecularWeight: 363.16614

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)C(=O)CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C14H11BrN4O3/c1-18-11-10(12(21)17-14(18)22)19(13(15)16-11)9(20)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,17,21,22)