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

Systemtic Name: 5,6-dimethyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-3-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5,6-dimethyl-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]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C15H21N4O2S+ MolecularWeight: 321.41784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C15H20N4O2S/c1-10-11(2)22-14-13(10)15(21)19(9-16-14)8-12(20)18-6-4-17(3)5-7-18/h9H,4-8H2,1-3H3/p+1