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

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H13N3O2S2 MolecularWeight: 391.46612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CSC4=NC5=CC=CC=C5O4

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CSC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C20H13N3O2S2/c24-18-17-13(12-6-2-1-3-7-12)10-26-19(17)23-16(22-18)11-27-20-21-14-8-4-5-9-15(14)25-20/h1-10H,11H2,(H,22,23,24)