2-ethyl-4-(4-ethylpiperazin-4-ium-1-yl)-[1]benzofuro[3,2-d]pyrimidine chloride

Systemtic Name: 2-ethyl-4-(4-ethylpiperazin-4-ium-1-yl)-[1]benzofuro[3,2-d]pyrimidine chloride Openeye Name: 2-ethyl-4-(4-ethylpiperazin-4-ium-1-yl)benzofuro[3,2-d]pyrimidine chloride CAS Name: 2-ethyl-4-(4-ethyl-1-piperazin-4-iumyl)benzofuro[3,2-d]pyrimidine chloride IUPAC Name: 2-ethyl-4-(4-ethylpiperazin-4-ium-1-yl)-[1]benzofuro[3,2-d]pyrimidine chloride Traditional Name: 2-ethyl-4-(4-ethylpiperazin-4-ium-1-yl)benzofuro[3,2-d]pyrimidine chloride Formula: C18H23ClN4O MolecularWeight: 346.85442

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=N1)N3CC[NH+](CC3)CC)OC4=CC=CC=C42.[Cl-]

Isomeric SMILES

CCC1=NC2=C(C(=N1)N3CC[NH+](CC3)CC)OC4=CC=CC=C42.[Cl-]

InChI

InChI=1S/C18H22N4O.ClH/c1-3-15-19-16-13-7-5-6-8-14(13)23-17(16)18(20-15)22-11-9-21(4-2)10-12-22;/h5-8H,3-4,9-12H2,1-2H3;1H