5,6-dimethyl-3-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-3-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-3-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-3-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5,6-dimethyl-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]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C19H22N5O2S+ MolecularWeight: 384.47528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C

InChI

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