2-[[(2S)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[(2S)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[[(2S)-1-oxo-1-(1-pyrrolidinyl)propan-2-yl]thio]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[[(1S)-2-keto-1-methyl-2-pyrrolidino-ethyl]thio]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)SCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

C[C@@H](C(=O)N1CCCC1)SCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C20H21N3O2S2/c1-13(20(25)23-9-5-6-10-23)26-12-16-21-18(24)17-15(11-27-19(17)22-16)14-7-3-2-4-8-14/h2-4,7-8,11,13H,5-6,9-10,12H2,1H3,(H,21,22,24)/t13-/m0/s1