7-(1,3-benzothiazol-2-ylmethyl)-8-chloranyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-(1,3-benzothiazol-2-ylmethyl)-8-chloranyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-(1,3-benzothiazol-2-ylmethyl)-8-chloro-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(1,3-benzothiazol-2-ylmethyl)-8-chloro-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(1,3-benzothiazol-2-ylmethyl)-8-chloro-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(1,3-benzothiazol-2-ylmethyl)-8-chloro-1,3-dimethyl-xanthine Formula: C15H12ClN5O2S MolecularWeight: 361.80608

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C15H12ClN5O2S/c1-19-12-11(13(22)20(2)15(19)23)21(14(16)18-12)7-10-17-8-5-3-4-6-9(8)24-10/h3-6H,7H2,1-2H3