8-[2-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 8-[2-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-[2-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-3,7-dimethyl-purine-2,6-dione CAS Name: 8-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-[2-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 8-[N'-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-3,7-dimethyl-xanthine Formula: C14H13BrN6O3 MolecularWeight: 393.19542

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NNC=C3C=C(C=CC3=O)Br)N(C(=O)NC2=O)C

Isomeric SMILES

CN1C2=C(N=C1NNC=C3C=C(C=CC3=O)Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H13BrN6O3/c1-20-10-11(21(2)14(24)18-12(10)23)17-13(20)19-16-6-7-5-8(15)3-4-9(7)22/h3-6,16H,1-2H3,(H,17,19)(H,18,23,24)