8-[(E)-(3-bromophenyl)methylideneamino]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[(E)-(3-bromophenyl)methylideneamino]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[(E)-(3-bromophenyl)methyleneamino]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[(E)-(3-bromophenyl)methylideneamino]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[(E)-(3-bromophenyl)methylideneamino]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[(E)-(3-bromobenzylidene)amino]-1,3,7-trimethyl-xanthine Formula: C15H14BrN5O2 MolecularWeight: 376.20796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1N=CC3=CC(=CC=C3)Br)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1/N=C/C3=CC(=CC=C3)Br)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C15H14BrN5O2/c1-19-11-12(20(2)15(23)21(3)13(11)22)18-14(19)17-8-9-5-4-6-10(16)7-9/h4-8H,1-3H3/b17-8+