2-(1,3-benzoxazol-2-ylmethylsulfanyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(1,3-benzoxazol-2-ylmethylsulfanyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(1,3-benzoxazol-2-ylmethylsulfanyl)-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(1,3-benzoxazol-2-ylmethylthio)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(1,3-benzoxazol-2-ylmethylsulfanyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(1,3-benzoxazol-2-ylmethylthio)-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H11N3O2S3 MolecularWeight: 397.49384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)CSC3=NC4=C(C(=CS4)C5=CC=CS5)C(=O)N3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)CSC3=NC4=C(C(=CS4)C5=CC=CS5)C(=O)N3

InChI

InChI=1S/C18H11N3O2S3/c22-16-15-10(13-6-3-7-24-13)8-25-17(15)21-18(20-16)26-9-14-19-11-4-1-2-5-12(11)23-14/h1-8H,9H2,(H,20,21,22)