7-[1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl]-3-oxidanyl-purine-2,6-dione

Systemtic Name: 7-[1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl]-3-oxidanyl-purine-2,6-dione Openeye Name: 7-[2-(4-bromophenyl)-1-methyl-2-oxo-ethyl]-3-hydroxy-purine-2,6-dione CAS Name: 7-[1-(4-bromophenyl)-1-oxopropan-2-yl]-3-hydroxypurine-2,6-dione IUPAC Name: 7-[1-(4-bromophenyl)-1-oxopropan-2-yl]-3-hydroxypurine-2,6-dione Traditional Name: 7-[2-(4-bromophenyl)-2-keto-1-methyl-ethyl]-3-hydroxy-xanthine Formula: C14H11BrN4O4 MolecularWeight: 379.16554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Br)N2C=NC3=C2C(=O)NC(=O)N3O

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)Br)N2C=NC3=C2C(=O)NC(=O)N3O

InChI

InChI=1S/C14H11BrN4O4/c1-7(11(20)8-2-4-9(15)5-3-8)18-6-16-12-10(18)13(21)17-14(22)19(12)23/h2-7,23H,1H3,(H,17,21,22)