1-(4-bromophenyl)-2-[6-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanylpurin-9-yl]ethanone

Systemtic Name: 1-(4-bromophenyl)-2-[6-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanylpurin-9-yl]ethanone Openeye Name: 1-(4-bromophenyl)-2-[6-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanylpurin-9-yl]ethanone CAS Name: 1-(4-bromophenyl)-2-[6-[[2-(4-bromophenyl)-2-oxoethyl]thio]-9-purinyl]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[6-[2-(4-bromophenyl)-2-oxoethyl]sulfanylpurin-9-yl]ethanone Traditional Name: 1-(4-bromophenyl)-2-[6-[[2-(4-bromophenyl)-2-keto-ethyl]thio]purin-9-yl]ethanone Formula: C21H14Br2N4O2S MolecularWeight: 546.23446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CN2C=NC3=C2N=CN=C3SCC(=O)C4=CC=C(C=C4)Br)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)CN2C=NC3=C2N=CN=C3SCC(=O)C4=CC=C(C=C4)Br)Br

InChI

InChI=1S/C21H14Br2N4O2S/c22-15-5-1-13(2-6-15)17(28)9-27-12-26-19-20(27)24-11-25-21(19)30-10-18(29)14-3-7-16(23)8-4-14/h1-8,11-12H,9-10H2