2-ethyl-N-(4-methylpiperazin-4-ium-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-amine chloride

Systemtic Name: 2-ethyl-N-(4-methylpiperazin-4-ium-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-amine chloride Openeye Name: 2-ethyl-N-(4-methylpiperazin-4-ium-1-yl)benzofuro[3,2-d]pyrimidin-4-amine chloride CAS Name: 2-ethyl-N-(4-methyl-1-piperazin-4-iumyl)-4-benzofuro[3,2-d]pyrimidinamine chloride IUPAC Name: 2-ethyl-N-(4-methylpiperazin-4-ium-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-amine chloride Traditional Name: (2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)-(4-methylpiperazin-4-ium-1-yl)amine chloride Formula: C17H22ClN5O MolecularWeight: 347.84248

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=N1)NN3CC[NH+](CC3)C)OC4=CC=CC=C42.[Cl-]

Isomeric SMILES

CCC1=NC2=C(C(=N1)NN3CC[NH+](CC3)C)OC4=CC=CC=C42.[Cl-]

InChI

InChI=1S/C17H21N5O.ClH/c1-3-14-18-15-12-6-4-5-7-13(12)23-16(15)17(19-14)20-22-10-8-21(2)9-11-22;/h4-7H,3,8-11H2,1-2H3,(H,18,19,20);1H