8-bromanyl-9-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-9-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-9-[[2-(2-chlorophenyl)thiazol-4-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-9-[[2-(2-chlorophenyl)-4-thiazolyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-9-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-9-[[2-(2-chlorophenyl)thiazol-4-yl]methyl]-1,3-dimethyl-xanthine Formula: C17H13BrClN5O2S MolecularWeight: 466.73942

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=CSC(=N3)C4=CC=CC=C4Cl)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=CSC(=N3)C4=CC=CC=C4Cl)Br

InChI

InChI=1S/C17H13BrClN5O2S/c1-22-14-12(15(25)23(2)17(22)26)21-16(18)24(14)7-9-8-27-13(20-9)10-5-3-4-6-11(10)19/h3-6,8H,7H2,1-2H3