7-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-1,3-dimethyl-8-(1-methylimidazol-2-yl)sulfanyl-purine-2,6-dione

Systemtic Name: 7-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-1,3-dimethyl-8-(1-methylimidazol-2-yl)sulfanyl-purine-2,6-dione Openeye Name: 7-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1,3-dimethyl-8-(1-methylimidazol-2-yl)sulfanyl-purine-2,6-dione CAS Name: 7-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1,3-dimethyl-8-[(1-methyl-2-imidazolyl)thio]purine-2,6-dione IUPAC Name: 7-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1,3-dimethyl-8-(1-methylimidazol-2-yl)sulfanylpurine-2,6-dione Traditional Name: 7-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1,3-dimethyl-8-[(1-methylimidazol-2-yl)thio]xanthine Formula: C19H17ClN6O4S MolecularWeight: 460.89408

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=NC3=C(N2CC4=CC5=C(C=C4Cl)OCO5)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CN1C=CN=C1SC2=NC3=C(N2CC4=CC5=C(C=C4Cl)OCO5)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C19H17ClN6O4S/c1-23-5-4-21-17(23)31-18-22-15-14(16(27)25(3)19(28)24(15)2)26(18)8-10-6-12-13(7-11(10)20)30-9-29-12/h4-7H,8-9H2,1-3H3