2-methylsulfanyl-3-(pyridin-3-ylmethyl)-[1]benzothiolo[3,2-d]pyrimidin-4-one

Systemtic Name: 2-methylsulfanyl-3-(pyridin-3-ylmethyl)-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 2-methylsulfanyl-3-(3-pyridylmethyl)benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 2-(methylthio)-3-(3-pyridinylmethyl)-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 2-methylsulfanyl-3-(pyridin-3-ylmethyl)-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 2-(methylthio)-3-(3-pyridylmethyl)benzothiopheno[3,2-d]pyrimidin-4-one Formula: C17H13N3OS2 MolecularWeight: 339.43462

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C(=O)N1CC3=CN=CC=C3)SC4=CC=CC=C42

Isomeric SMILES

CSC1=NC2=C(C(=O)N1CC3=CN=CC=C3)SC4=CC=CC=C42

InChI

InChI=1S/C17H13N3OS2/c1-22-17-19-14-12-6-2-3-7-13(12)23-15(14)16(21)20(17)10-11-5-4-8-18-9-11/h2-9H,10H2,1H3