8-[(2E)-2-[(5-bromanyl-2-methoxy-phenyl)methylidene]hydrazinyl]-7-ethyl-3-methyl-purine-2,6-dione

Systemtic Name: 8-[(2E)-2-[(5-bromanyl-2-methoxy-phenyl)methylidene]hydrazinyl]-7-ethyl-3-methyl-purine-2,6-dione Openeye Name: 8-[(2E)-2-[(5-bromo-2-methoxy-phenyl)methylene]hydrazino]-7-ethyl-3-methyl-purine-2,6-dione CAS Name: 8-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-7-ethyl-3-methylpurine-2,6-dione IUPAC Name: 8-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-7-ethyl-3-methylpurine-2,6-dione Traditional Name: 8-[(N'E)-N'-(5-bromo-2-methoxy-benzylidene)hydrazino]-7-ethyl-3-methyl-xanthine Formula: C16H17BrN6O3 MolecularWeight: 421.24858

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1NN=CC3=C(C=CC(=C3)Br)OC)N(C(=O)NC2=O)C

Isomeric SMILES

CCN1C2=C(N=C1N/N=C/C3=C(C=CC(=C3)Br)OC)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H17BrN6O3/c1-4-23-12-13(22(2)16(25)20-14(12)24)19-15(23)21-18-8-9-7-10(17)5-6-11(9)26-3/h5-8H,4H2,1-3H3,(H,19,21)(H,20,24,25)/b18-8+