9-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-1-methyl-3H-purine-2,6-dione

Systemtic Name: 9-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-1-methyl-3H-purine-2,6-dione Openeye Name: 9-[2-(4-bromophenyl)-2-oxo-ethyl]-1-methyl-3H-purine-2,6-dione CAS Name: 9-[2-(4-bromophenyl)-2-oxoethyl]-1-methyl-3H-purine-2,6-dione IUPAC Name: 9-[2-(4-bromophenyl)-2-oxoethyl]-1-methyl-3H-purine-2,6-dione Traditional Name: 9-[2-(4-bromophenyl)-2-keto-ethyl]-1-methyl-xanthine Formula: C14H11BrN4O3 MolecularWeight: 363.16614

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(NC1=O)N(C=N2)CC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CN1C(=O)C2=C(NC1=O)N(C=N2)CC(=O)C3=CC=C(C=C3)Br

InChI

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