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

Systemtic Name: 8-[(2E)-2-[(3-bromanyl-5-oxidanyl-phenyl)methylidene]hydrazinyl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione Openeye Name: 8-[(2E)-2-[(3-bromo-5-hydroxy-phenyl)methylene]hydrazino]-7-isobutyl-3-methyl-purine-2,6-dione CAS Name: 8-[(2E)-2-[(3-bromo-5-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-[(2E)-2-[(3-bromo-5-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 8-[(N'E)-N'-(3-bromo-5-hydroxy-benzylidene)hydrazino]-7-isobutyl-3-methyl-xanthine Formula: C17H19BrN6O3 MolecularWeight: 435.27516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1NN=CC3=CC(=CC(=C3)Br)O)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CN1C2=C(N=C1N/N=C/C3=CC(=CC(=C3)Br)O)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H19BrN6O3/c1-9(2)8-24-13-14(23(3)17(27)21-15(13)26)20-16(24)22-19-7-10-4-11(18)6-12(25)5-10/h4-7,9,25H,8H2,1-3H3,(H,20,22)(H,21,26,27)/b19-7+