8-bromanyl-1,3-dimethyl-9-[2-oxidanylidene-2-(4-phenoxyphenyl)ethyl]purine-2,6-dione

Systemtic Name: 8-bromanyl-1,3-dimethyl-9-[2-oxidanylidene-2-(4-phenoxyphenyl)ethyl]purine-2,6-dione Openeye Name: 8-bromo-1,3-dimethyl-9-[2-oxo-2-(4-phenoxyphenyl)ethyl]purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-9-[2-oxo-2-(4-phenoxyphenyl)ethyl]purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-9-[2-oxo-2-(4-phenoxyphenyl)ethyl]purine-2,6-dione Traditional Name: 8-bromo-9-[2-keto-2-(4-phenoxyphenyl)ethyl]-1,3-dimethyl-xanthine Formula: C21H17BrN4O4 MolecularWeight: 469.28808

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)Br

InChI

InChI=1S/C21H17BrN4O4/c1-24-18-17(19(28)25(2)21(24)29)23-20(22)26(18)12-16(27)13-8-10-15(11-9-13)30-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3