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

Systemtic Name: 8-[2-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-7-ethyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[2-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-7-ethyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]-7-ethyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[2-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-7-ethyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[N'-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-7-ethyl-1,3-dimethyl-xanthine Formula: C16H17BrN6O3 MolecularWeight: 421.24858

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1NNC=C3C=C(C=CC3=O)Br)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1NNC=C3C=C(C=CC3=O)Br)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H17BrN6O3/c1-4-23-12-13(21(2)16(26)22(3)14(12)25)19-15(23)20-18-8-9-7-10(17)5-6-11(9)24/h5-8,18H,4H2,1-3H3,(H,19,20)