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1-ethyl-2-(pyrimidin-2-ylsulfanylmethyl)benzimidazole-5-carboxylic acid

1-ethyl-2-(pyrimidin-2-ylsulfanylmethyl)benzimidazole-5-carboxylic acid

Systemtic Name:1-ethyl-2-(pyrimidin-2-ylsulfanylmethyl)benzimidazole-5-carboxylic acid
Openeye Name:1-ethyl-2-(pyrimidin-2-ylsulfanylmethyl)benzimidazole-5-carboxylic acid
CAS Name:1-ethyl-2-[(2-pyrimidinylthio)methyl]-5-benzimidazolecarboxylic acid
IUPAC Name:1-ethyl-2-(pyrimidin-2-ylsulfanylmethyl)benzimidazole-5-carboxylic acid
Traditional Name:1-ethyl-2-[(2-pyrimidylthio)methyl]benzimidazole-5-carboxylic acid
Formula: C15H14N4O2S
MolecularWeight: 314.36226
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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)O)N=C1CSC3=NC=CC=N3


Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)O)N=C1CSC3=NC=CC=N3


InChI

InChI=1S/C15H14N4O2S/c1-2-19-12-5-4-10(14(20)21)8-11(12)18-13(19)9-22-15-16-6-3-7-17-15/h3-8H,2,9H2,1H3,(H,20,21)


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