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

Systemtic Name: 8-[(2E)-2-[(5-bromanyl-2-methoxy-phenyl)methylidene]hydrazinyl]-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione Openeye Name: 8-[(2E)-2-[(5-bromo-2-methoxy-phenyl)methylene]hydrazino]-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 8-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione IUPAC Name: 8-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione Traditional Name: 8-[(N'E)-N'-(5-bromo-2-methoxy-benzylidene)hydrazino]-7-(2-methoxyethyl)-3-methyl-xanthine Formula: C17H19BrN6O4 MolecularWeight: 451.27456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC3=C(C=CC(=C3)Br)OC)CCOC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C/C3=C(C=CC(=C3)Br)OC)CCOC

InChI

InChI=1S/C17H19BrN6O4/c1-23-14-13(15(25)21-17(23)26)24(6-7-27-2)16(20-14)22-19-9-10-8-11(18)4-5-12(10)28-3/h4-5,8-9H,6-7H2,1-3H3,(H,20,22)(H,21,25,26)/b19-9+