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

Systemtic Name: 2-[[4-(2,5-dimethylthiophen-3-yl)carbonylpiperazin-1-ium-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-(2,5-dimethylthiophene-3-carbonyl)piperazin-1-ium-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-[(2,5-dimethyl-3-thiophenyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[4-(2,5-dimethylthiophene-3-carbonyl)piperazin-1-ium-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[4-(2,5-dimethylthiophene-3-carbonyl)piperazin-1-ium-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H25N4O2S2+ MolecularWeight: 417.5681

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)N2CC[NH+](CC2)CC3=NC4=C(C(=C(S4)C)C)C(=O)N3

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)N2CC[NH+](CC2)CC3=NC4=C(C(=C(S4)C)C)C(=O)N3

InChI

InChI=1S/C20H24N4O2S2/c1-11-9-15(14(4)27-11)20(26)24-7-5-23(6-8-24)10-16-21-18(25)17-12(2)13(3)28-19(17)22-16/h9H,5-8,10H2,1-4H3,(H,21,22,25)/p+1