5-(4-methylphenyl)-3-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-methylphenyl)-3-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-methylphenyl)-3-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-methylphenyl)-3-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C24H24N5O2S+ MolecularWeight: 446.54466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C24H23N5O2S/c1-17-5-7-18(8-6-17)19-15-32-23-22(19)24(31)29(16-26-23)14-21(30)28-12-10-27(11-13-28)20-4-2-3-9-25-20/h2-9,15-16H,10-14H2,1H3/p+1