2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-(6-ethyl-4-thieno[2,3-d]pyrimidinyl)-1,4-diazepan-1-ium-1-yl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C19H28N5OS+ MolecularWeight: 374.52352

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=CN=C2S1)N3CCC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

CCC1=CC2=C(N=CN=C2S1)N3CCC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C19H27N5OS/c1-2-15-12-16-18(20-14-21-19(16)26-15)24-9-5-6-22(10-11-24)13-17(25)23-7-3-4-8-23/h12,14H,2-11,13H2,1H3/p+1