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

Systemtic Name: 2-[[4-[2-[(1R)-cyclopent-2-en-1-yl]ethanoyl]piperazin-1-ium-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperazin-1-ium-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-[2-[(1R)-1-cyclopent-2-enyl]-1-oxoethyl]-1-piperazin-1-iumyl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[4-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperazin-1-ium-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[4-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperazin-1-ium-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H27N4O2S+ MolecularWeight: 387.51898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCN(CC3)C(=O)CC4CCC=C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCN(CC3)C(=O)C[C@H]4CCC=C4)C

InChI

InChI=1S/C20H26N4O2S/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/h3,5,15H,4,6-12H2,1-2H3,(H,21,22,26)/p+1/t15-/m1/s1