8-[(E)-1-chloranyl-2-phenyl-ethenyl]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[(E)-1-chloranyl-2-phenyl-ethenyl]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[(E)-1-chloro-2-phenyl-vinyl]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[(E)-1-chloro-2-phenylethenyl]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[(E)-1-chloro-2-phenylethenyl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[(E)-1-chloro-2-phenyl-vinyl]-1,3,7-trimethyl-xanthine Formula: C16H15ClN4O2 MolecularWeight: 330.7689

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1C(=CC3=CC=CC=C3)Cl)N(C(=O)N(C2=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN4O2/c1-19-12-14(20(2)16(23)21(3)15(12)22)18-13(19)11(17)9-10-7-5-4-6-8-10/h4-9H,1-3H3/b11-9+