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

Systemtic Name: 8-chloranyl-7-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[(2-ethylthiazol-4-yl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[(2-ethyl-4-thiazolyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-[(2-ethylthiazol-4-yl)methyl]-1,3-dimethyl-xanthine Formula: C13H14ClN5O2S MolecularWeight: 339.80056

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CS1)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CCC1=NC(=CS1)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C13H14ClN5O2S/c1-4-8-15-7(6-22-8)5-19-9-10(16-12(19)14)17(2)13(21)18(3)11(9)20/h6H,4-5H2,1-3H3