9-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 9-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 9-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 9-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 9-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 9-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-1,3-dimethyl-xanthine Formula: C17H18N6O2S MolecularWeight: 370.42882

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=CN2CN(C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=CN2CN(C)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H18N6O2S/c1-20(8-13-19-11-6-4-5-7-12(11)26-13)10-23-9-18-14-15(23)21(2)17(25)22(3)16(14)24/h4-7,9H,8,10H2,1-3H3