8-[(2E)-2-[(5-bromanylfuran-2-yl)methylidene]hydrazinyl]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[(2E)-2-[(5-bromanylfuran-2-yl)methylidene]hydrazinyl]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[(2E)-2-[(5-bromo-2-furyl)methylene]hydrazino]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[(2E)-2-[(5-bromo-2-furanyl)methylidene]hydrazinyl]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[(2E)-2-[(5-bromofuran-2-yl)methylidene]hydrazinyl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[(N'E)-N'-[(5-bromo-2-furyl)methylene]hydrazino]-1,3,7-trimethyl-xanthine Formula: C13H13BrN6O3 MolecularWeight: 381.18472

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NN=CC3=CC=C(O3)Br)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1N/N=C/C3=CC=C(O3)Br)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C13H13BrN6O3/c1-18-9-10(19(2)13(22)20(3)11(9)21)16-12(18)17-15-6-7-4-5-8(14)23-7/h4-6H,1-3H3,(H,16,17)/b15-6+