6-ethanoyl-5-methyl-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-ethanoyl-5-methyl-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-acetyl-5-methyl-2-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-acetyl-5-methyl-2-[[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-acetyl-5-methyl-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-acetyl-5-methyl-2-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H20N3O2S2+ MolecularWeight: 374.5003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCCC3C4=CC=CS4)C(=O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCC[C@@H]3C4=CC=CS4)C(=O)C

InChI

InChI=1S/C18H19N3O2S2/c1-10-15-17(23)19-14(20-18(15)25-16(10)11(2)22)9-21-7-3-5-12(21)13-6-4-8-24-13/h4,6,8,12H,3,5,7,9H2,1-2H3,(H,19,20,23)/p+1/t12-/m1/s1