2-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-5-(5-methyl-2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(2R)-2-(1-methyl-2-pyrrolyl)-1-pyrrolidin-1-iumyl]methyl]-5-(5-methyl-2-thiophenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-5-(5-methyl-2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H23N4OS2+ MolecularWeight: 411.56352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CSC3=C2C(=O)NC(=N3)C[NH+]4CCCC4C5=CC=CN5C

Isomeric SMILES

CC1=CC=C(S1)C2=CSC3=C2C(=O)NC(=N3)C[NH+]4CCC[C@@H]4C5=CC=CN5C

InChI

InChI=1S/C21H22N4OS2/c1-13-7-8-17(28-13)14-12-27-21-19(14)20(26)22-18(23-21)11-25-10-4-6-16(25)15-5-3-9-24(15)2/h3,5,7-9,12,16H,4,6,10-11H2,1-2H3,(H,22,23,26)/p+1/t16-/m1/s1