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

Systemtic Name: 2-[[4-(2-cyclopentylethanoyl)piperazin-1-ium-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-(2-cyclopentylacetyl)piperazin-1-ium-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-(2-cyclopentyl-1-oxoethyl)-1-piperazin-1-iumyl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[4-(2-cyclopentylacetyl)piperazin-1-ium-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[4-(2-cyclopentylacetyl)piperazin-1-ium-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H29N4O2S+ MolecularWeight: 389.53486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCN(CC3)C(=O)CC4CCCC4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCN(CC3)C(=O)CC4CCCC4)C

InChI

InChI=1S/C20H28N4O2S/c1-13-14(2)27-20-18(13)19(26)21-16(22-20)12-23-7-9-24(10-8-23)17(25)11-15-5-3-4-6-15/h15H,3-12H2,1-2H3,(H,21,22,26)/p+1