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

Systemtic Name: 6-(4-methoxyphenyl)-3-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one Openeye Name: 6-(4-methoxyphenyl)-3-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one CAS Name: 6-(4-methoxyphenyl)-3-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-4-thieno[3,2-d]pyrimidinone IUPAC Name: 6-(4-methoxyphenyl)-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]-6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one Formula: C24H24N5O3S+ MolecularWeight: 462.54406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC3=C(S2)C(=O)N(C=N3)CC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC3=C(S2)C(=O)N(C=N3)CC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C24H23N5O3S/c1-32-18-7-5-17(6-8-18)20-14-19-23(33-20)24(31)29(16-26-19)15-22(30)28-12-10-27(11-13-28)21-4-2-3-9-25-21/h2-9,14,16H,10-13,15H2,1H3/p+1