8-chloranyl-7-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-chloranyl-7-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[[2-(4-ethylphenyl)thiazol-4-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[[2-(4-ethylphenyl)-4-thiazolyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-[[2-(4-ethylphenyl)thiazol-4-yl]methyl]-1,3-dimethyl-xanthine Formula: C19H18ClN5O2S MolecularWeight: 415.89652

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=CS2)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=CS2)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C

InChI

InChI=1S/C19H18ClN5O2S/c1-4-11-5-7-12(8-6-11)16-21-13(10-28-16)9-25-14-15(22-18(25)20)23(2)19(27)24(3)17(14)26/h5-8,10H,4,9H2,1-3H3