8-[(4,5-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[(4,5-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[(4,5-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[(4,5-dimethyl-1H-benzimidazol-2-yl)thio]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[(4,5-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[(4,5-dimethyl-1H-benzimidazol-2-yl)thio]-1,3,7-trimethyl-xanthine Formula: C17H18N6O2S MolecularWeight: 370.42882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)NC(=N2)SC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)NC(=N2)SC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C)C

InChI

InChI=1S/C17H18N6O2S/c1-8-6-7-10-11(9(8)2)19-15(18-10)26-16-20-13-12(21(16)3)14(24)23(5)17(25)22(13)4/h6-7H,1-5H3,(H,18,19)