8-bromanyl-7-[2-(3-hydroxyphenyl)-2-oxidanylidene-ethyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-7-[2-(3-hydroxyphenyl)-2-oxidanylidene-ethyl]-3-methyl-purine-2,6-dione Openeye Name: 8-bromo-7-[2-(3-hydroxyphenyl)-2-oxo-ethyl]-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-[2-(3-hydroxyphenyl)-2-oxoethyl]-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-[2-(3-hydroxyphenyl)-2-oxoethyl]-3-methylpurine-2,6-dione Traditional Name: 8-bromo-7-[2-(3-hydroxyphenyl)-2-keto-ethyl]-3-methyl-xanthine Formula: C14H11BrN4O4 MolecularWeight: 379.16554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11BrN4O4/c1-18-11-10(12(22)17-14(18)23)19(13(15)16-11)6-9(21)7-3-2-4-8(20)5-7/h2-5,20H,6H2,1H3,(H,17,22,23)