1,3-dimethyl-7-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[(2-thioxo-1,3-benzothiazol-3-yl)methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[(2-thioxo-1,3-benzothiazol-3-yl)methyl]xanthine Formula: C15H13N5O2S2 MolecularWeight: 359.42602

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CN3C4=CC=CC=C4SC3=S

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CN3C4=CC=CC=C4SC3=S

InChI

InChI=1S/C15H13N5O2S2/c1-17-12-11(13(21)18(2)14(17)22)19(7-16-12)8-20-9-5-3-4-6-10(9)24-15(20)23/h3-7H,8H2,1-2H3