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

Systemtic Name: 7-(1,3-benzothiazol-2-ylmethyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-(1,3-benzothiazol-2-ylmethyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(1,3-benzothiazol-2-ylmethyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(1,3-benzothiazol-2-ylmethyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(1,3-benzothiazol-2-ylmethyl)-1,3-dimethyl-xanthine Formula: C15H13N5O2S MolecularWeight: 327.36102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N5O2S/c1-18-13-12(14(21)19(2)15(18)22)20(8-16-13)7-11-17-9-5-3-4-6-10(9)23-11/h3-6,8H,7H2,1-2H3