2-[(1S)-1-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(1S)-1-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(1S)-1-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(1S)-1-(1,3-benzoxazol-2-ylthio)ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(1S)-1-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(1S)-1-(1,3-benzoxazol-2-ylthio)ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H15N3O2S2 MolecularWeight: 405.4927

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1)SC4=NC5=CC=CC=C5O4

Isomeric SMILES

C[C@@H](C1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1)SC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C21H15N3O2S2/c1-12(28-21-22-15-9-5-6-10-16(15)26-21)18-23-19(25)17-14(11-27-20(17)24-18)13-7-3-2-4-8-13/h2-12H,1H3,(H,23,24,25)/t12-/m0/s1