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

Systemtic Name: 3-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-6-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-6-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C23H22N5O2S+ MolecularWeight: 432.51808

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CN3C=NC4=C(C3=O)C=C(S4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CN3C=NC4=C(C3=O)C=C(S4)C5=CC=CC=C5

InChI

InChI=1S/C23H21N5O2S/c29-21(27-12-10-26(11-13-27)20-8-4-5-9-24-20)15-28-16-25-22-18(23(28)30)14-19(31-22)17-6-2-1-3-7-17/h1-9,14,16H,10-13,15H2/p+1