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

Systemtic Name: 5-(4-methylphenyl)-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-methylphenyl)-3-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-methylphenyl)-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C20H22N4O2S/c1-14-3-5-15(6-4-14)16-12-27-19-18(16)20(26)24(13-21-19)11-17(25)23-9-7-22(2)8-10-23/h3-6,12-13H,7-11H2,1-2H3/p+1