2-[[4-(4-cyclohexylbutanoyl)piperazin-1-ium-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[4-(4-cyclohexylbutanoyl)piperazin-1-ium-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-(4-cyclohexylbutanoyl)piperazin-1-ium-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-(4-cyclohexyl-1-oxobutyl)-1-piperazin-1-iumyl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[4-(4-cyclohexylbutanoyl)piperazin-1-ium-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[4-(4-cyclohexylbutanoyl)piperazin-1-ium-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C23H35N4O2S+ MolecularWeight: 431.6146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCN(CC3)C(=O)CCCC4CCCCC4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCN(CC3)C(=O)CCCC4CCCCC4)C

InChI

InChI=1S/C23H34N4O2S/c1-16-17(2)30-23-21(16)22(29)24-19(25-23)15-26-11-13-27(14-12-26)20(28)10-6-9-18-7-4-3-5-8-18/h18H,3-15H2,1-2H3,(H,24,25,29)/p+1