2-[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C18H26N5OS+ MolecularWeight: 360.49694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CC[NH+](CC3)CC(=O)N4CCCC4)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CC[NH+](CC3)CC(=O)N4CCCC4)C

InChI

InChI=1S/C18H25N5OS/c1-13-14(2)25-18-16(13)17(19-12-20-18)23-9-7-21(8-10-23)11-15(24)22-5-3-4-6-22/h12H,3-11H2,1-2H3/p+1