2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-pyrimidin-2-yl-ethanamide

Systemtic Name: 2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-pyrimidin-2-yl-ethanamide Openeye Name: 2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-pyrimidin-2-yl-acetamide CAS Name: 2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)thio]-N-(2-pyrimidinyl)acetamide IUPAC Name: 2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide Traditional Name: 2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)thio]-N-(2-pyrimidyl)acetamide Formula: C15H16N5O2S+ MolecularWeight: 330.38484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[NH+]=C(N2)SCC(=O)NC3=NC=CC=N3

Isomeric SMILES

CCOC1=CC2=C(C=C1)[NH+]=C(N2)SCC(=O)NC3=NC=CC=N3

InChI

InChI=1S/C15H15N5O2S/c1-2-22-10-4-5-11-12(8-10)19-15(18-11)23-9-13(21)20-14-16-6-3-7-17-14/h3-8H,2,9H2,1H3,(H,18,19)(H,16,17,20,21)/p+1