4-[2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl]piperazin-2-one

Systemtic Name: 4-[2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl]piperazin-2-one Openeye Name: 4-[2-(morpholin-4-ium-4-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-2-one CAS Name: 4-[2-(4-morpholin-4-iumylmethyl)-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinyl]-2-piperazinone IUPAC Name: 4-[2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]piperazin-2-one Traditional Name: 4-[2-(morpholin-4-ium-4-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-2-one Formula: C19H22N5O2S2+ MolecularWeight: 416.54028

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=C3C(=CSC3=NC(=N2)C[NH+]4CCOCC4)C5=CC=CS5

Isomeric SMILES

C1CN(CC(=O)N1)C2=C3C(=CSC3=NC(=N2)C[NH+]4CCOCC4)C5=CC=CS5

InChI

InChI=1S/C19H21N5O2S2/c25-16-11-24(4-3-20-16)18-17-13(14-2-1-9-27-14)12-28-19(17)22-15(21-18)10-23-5-7-26-8-6-23/h1-2,9,12H,3-8,10-11H2,(H,20,25)/p+1