6-ethyl-3-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-ethyl-3-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-ethyl-3-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 6-ethyl-3-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 6-ethyl-3-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-ethyl-3-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]thieno[2,3-d]pyrimidin-4-one Formula: C19H22N5O2S+ MolecularWeight: 384.47528

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=CN(C2=O)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CCC1=CC2=C(S1)N=CN(C2=O)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H21N5O2S/c1-2-14-11-15-18(27-14)21-13-24(19(15)26)12-17(25)23-9-7-22(8-10-23)16-5-3-4-6-20-16/h3-6,11,13H,2,7-10,12H2,1H3/p+1