4-(azepan-1-ium-1-yl)-6-ethyl-thieno[2,3-d]pyrimidine chloride

Systemtic Name: 4-(azepan-1-ium-1-yl)-6-ethyl-thieno[2,3-d]pyrimidine chloride Openeye Name: 4-(azepan-1-ium-1-yl)-6-ethyl-thieno[2,3-d]pyrimidine chloride CAS Name: 4-(1-azepan-1-iumyl)-6-ethylthieno[2,3-d]pyrimidine chloride IUPAC Name: 4-(azepan-1-ium-1-yl)-6-ethylthieno[2,3-d]pyrimidine chloride Traditional Name: 4-(azepan-1-ium-1-yl)-6-ethyl-thieno[2,3-d]pyrimidine chloride Formula: C14H20ClN3S MolecularWeight: 297.8467

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=CN=C2S1)[NH+]3CCCCCC3.[Cl-]

Isomeric SMILES

CCC1=CC2=C(N=CN=C2S1)[NH+]3CCCCCC3.[Cl-]

InChI

InChI=1S/C14H19N3S.ClH/c1-2-11-9-12-13(15-10-16-14(12)18-11)17-7-5-3-4-6-8-17;/h9-10H,2-8H2,1H3;1H