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

Systemtic Name: 8-bromanyl-9-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-9-[[2-(4-ethylphenyl)thiazol-4-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-9-[[2-(4-ethylphenyl)-4-thiazolyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-9-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-9-[[2-(4-ethylphenyl)thiazol-4-yl]methyl]-1,3-dimethyl-xanthine Formula: C19H18BrN5O2S MolecularWeight: 460.34752

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=CS2)CN3C4=C(C(=O)N(C(=O)N4C)C)N=C3Br

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=CS2)CN3C4=C(C(=O)N(C(=O)N4C)C)N=C3Br

InChI

InChI=1S/C19H18BrN5O2S/c1-4-11-5-7-12(8-6-11)15-21-13(10-28-15)9-25-16-14(22-18(25)20)17(26)24(3)19(27)23(16)2/h5-8,10H,4,9H2,1-3H3