8-bromanyl-7-methyl-3-phenacyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-7-methyl-3-phenacyl-purine-2,6-dione Openeye Name: 8-bromo-7-methyl-3-phenacyl-purine-2,6-dione CAS Name: 8-bromo-7-methyl-3-phenacylpurine-2,6-dione IUPAC Name: 8-bromo-7-methyl-3-phenacylpurine-2,6-dione Traditional Name: 8-bromo-7-methyl-3-phenacyl-xanthine Formula: C14H11BrN4O3 MolecularWeight: 363.16614

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1Br)N(C(=O)NC2=O)CC(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(N=C1Br)N(C(=O)NC2=O)CC(=O)C3=CC=CC=C3

InChI

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