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

Systemtic Name: 5-phenyl-2-[(1S)-1-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-phenyl-2-[(1S)-1-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-phenyl-2-[(1S)-1-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-phenyl-2-[(1S)-1-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-phenyl-2-[(1S)-1-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C23H22N4O3S3 MolecularWeight: 498.64078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1)SC4=NC=C(C=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

C[C@@H](C1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1)SC4=NC=C(C=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C23H22N4O3S3/c1-15(32-19-10-9-17(13-24-19)33(29,30)27-11-5-6-12-27)21-25-22(28)20-18(14-31-23(20)26-21)16-7-3-2-4-8-16/h2-4,7-10,13-15H,5-6,11-12H2,1H3,(H,25,26,28)/t15-/m0/s1