7-[2-[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[4-(6-bromo-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazino]-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C20H20BrN7O3S MolecularWeight: 518.3869

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCN(CC3)C4=NC5=C(S4)C=C(C=C5)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCN(CC3)C4=NC5=C(S4)C=C(C=C5)Br

InChI

InChI=1S/C20H20BrN7O3S/c1-24-17-16(18(30)25(2)20(24)31)28(11-22-17)10-15(29)26-5-7-27(8-6-26)19-23-13-4-3-12(21)9-14(13)32-19/h3-4,9,11H,5-8,10H2,1-2H3