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

Systemtic Name: 3-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one CAS Name: 3-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one Traditional Name: 3-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]thieno[3,2-d]pyrimidin-4-one Formula: C17H18N5O2S+ MolecularWeight: 356.42212

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CN3C=NC4=C(C3=O)SC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CN3C=NC4=C(C3=O)SC=C4

InChI

InChI=1S/C17H17N5O2S/c23-15(11-22-12-19-13-4-10-25-16(13)17(22)24)21-8-6-20(7-9-21)14-3-1-2-5-18-14/h1-5,10,12H,6-9,11H2/p+1