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

Systemtic Name: 8-[(2E)-2-[(5-bromanyl-2-methoxy-phenyl)methylidene]hydrazinyl]-7-heptyl-3-methyl-purine-2,6-dione Openeye Name: 8-[(2E)-2-[(5-bromo-2-methoxy-phenyl)methylene]hydrazino]-7-heptyl-3-methyl-purine-2,6-dione CAS Name: 8-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-7-heptyl-3-methylpurine-2,6-dione IUPAC Name: 8-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-7-heptyl-3-methylpurine-2,6-dione Traditional Name: 8-[(N'E)-N'-(5-bromo-2-methoxy-benzylidene)hydrazino]-7-heptyl-3-methyl-xanthine Formula: C21H27BrN6O3 MolecularWeight: 491.38148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(N=C1NN=CC3=C(C=CC(=C3)Br)OC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1N/N=C/C3=C(C=CC(=C3)Br)OC)N(C(=O)NC2=O)C

InChI

InChI=1S/C21H27BrN6O3/c1-4-5-6-7-8-11-28-17-18(27(2)21(30)25-19(17)29)24-20(28)26-23-13-14-12-15(22)9-10-16(14)31-3/h9-10,12-13H,4-8,11H2,1-3H3,(H,24,26)(H,25,29,30)/b23-13+