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

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C14H9N3O2S2 MolecularWeight: 315.37016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C14H9N3O2S2/c18-13-12-9(5-6-20-12)15-11(17-13)7-21-14-16-8-3-1-2-4-10(8)19-14/h1-6H,7H2,(H,15,17,18)