3,7-dimethyl-1-[2-(2-methyl-1,3-benzothiazol-4-yl)-2-oxidanylidene-ethyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[2-(2-methyl-1,3-benzothiazol-4-yl)-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[2-(2-methyl-1,3-benzothiazol-4-yl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[2-(2-methyl-1,3-benzothiazol-4-yl)-2-oxoethyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[2-(2-methyl-1,3-benzothiazol-4-yl)-2-oxoethyl]purine-2,6-dione Traditional Name: 1-[2-keto-2-(2-methyl-1,3-benzothiazol-4-yl)ethyl]-3,7-dimethyl-xanthine Formula: C17H15N5O3S MolecularWeight: 369.3977

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2S1)C(=O)CN3C(=O)C4=C(N=CN4C)N(C3=O)C

Isomeric SMILES

CC1=NC2=C(C=CC=C2S1)C(=O)CN3C(=O)C4=C(N=CN4C)N(C3=O)C

InChI

InChI=1S/C17H15N5O3S/c1-9-19-13-10(5-4-6-12(13)26-9)11(23)7-22-16(24)14-15(18-8-20(14)2)21(3)17(22)25/h4-6,8H,7H2,1-3H3