2-[(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylmethyl]-1-butyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylmethyl]-1-butyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)sulfanylmethyl]-1-butyl-benzimidazole-5-sulfonamide CAS Name: 2-[[(4-amino-5-cyano-2-pyrimidinyl)thio]methyl]-1-butyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(4-amino-5-cyanopyrimidin-2-yl)sulfanylmethyl]-1-butylbenzimidazole-5-sulfonamide Traditional Name: 2-[[(4-amino-5-cyano-pyrimidin-2-yl)thio]methyl]-1-butyl-benzimidazole-5-sulfonamide Formula: C17H19N7O2S2 MolecularWeight: 417.50846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C17H19N7O2S2/c1-2-3-6-24-14-5-4-12(28(20,25)26)7-13(14)22-15(24)10-27-17-21-9-11(8-18)16(19)23-17/h4-5,7,9H,2-3,6,10H2,1H3,(H2,19,21,23)(H2,20,25,26)