1-ethyl-N,N-dimethyl-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-ethyl-N,N-dimethyl-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 1-ethyl-N,N-dimethyl-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]benzimidazole-5-sulfonamide CAS Name: 1-ethyl-N,N-dimethyl-2-[[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-ethyl-N,N-dimethyl-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Traditional Name: 1-ethyl-N,N-dimethyl-2-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]benzimidazole-5-sulfonamide Formula: C18H21N7O2S2 MolecularWeight: 431.53504

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CSC3=NC=NC4=C3C=NN4C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CSC3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C18H21N7O2S2/c1-5-25-15-7-6-12(29(26,27)23(2)3)8-14(15)22-16(25)10-28-18-13-9-21-24(4)17(13)19-11-20-18/h6-9,11H,5,10H2,1-4H3