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

Systemtic Name: 2-[4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)amino]-1-piperidin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C19H28N5OS+ MolecularWeight: 374.52352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3CC[NH+](CC3)CC(=O)N4CCCC4)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3CC[NH+](CC3)CC(=O)N4CCCC4)C

InChI

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