5-(furan-2-yl)-2-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(furan-2-yl)-2-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(2-furyl)-2-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(2-furanyl)-2-[(1S)-1-(1-pyrrolidin-1-iumyl)ethyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(furan-2-yl)-2-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(2-furyl)-2-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C16H18N3O2S+ MolecularWeight: 316.39802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1)[NH+]4CCCC4

Isomeric SMILES

C[C@@H](C1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1)[NH+]4CCCC4

InChI

InChI=1S/C16H17N3O2S/c1-10(19-6-2-3-7-19)14-17-15(20)13-11(9-22-16(13)18-14)12-5-4-8-21-12/h4-5,8-10H,2-3,6-7H2,1H3,(H,17,18,20)/p+1/t10-/m0/s1