8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-[(2E)-2-[(4-bromophenyl)methylene]hydrazino]-3,7-dimethyl-purine-2,6-dione CAS Name: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 8-[(N'E)-N'-(4-bromobenzylidene)hydrazino]-3,7-dimethyl-xanthine Formula: C14H13BrN6O2 MolecularWeight: 377.19602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13BrN6O2/c1-20-10-11(21(2)14(23)18-12(10)22)17-13(20)19-16-7-8-3-5-9(15)6-4-8/h3-7H,1-2H3,(H,17,19)(H,18,22,23)/b16-7+