2-[(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylmethyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylmethyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)sulfanylmethyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[[(4-amino-5-cyano-2-pyrimidinyl)thio]methyl]-N,N-dimethyl-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(4-amino-5-cyanopyrimidin-2-yl)sulfanylmethyl]-N,N-dimethyl-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[[(4-amino-5-cyano-pyrimidin-2-yl)thio]methyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide Formula: C18H21N7O2S2 MolecularWeight: 431.53504

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C18H21N7O2S2/c1-4-7-25-15-6-5-13(29(26,27)24(2)3)8-14(15)22-16(25)11-28-18-21-10-12(9-19)17(20)23-18/h5-6,8,10H,4,7,11H2,1-3H3,(H2,20,21,23)