2-methylsulfanyl-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-methylsulfanyl-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Openeye Name: 2-methylsulfanyl-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one CAS Name: 2-(methylthio)-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-methylsulfanyl-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Traditional Name: 2-(methylthio)-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Formula: C13H11N3O3S2 MolecularWeight: 321.37474

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)[N+](=O)[O-])SCC2

Isomeric SMILES

CSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)[N+](=O)[O-])SCC2

InChI

InChI=1S/C13H11N3O3S2/c1-20-13-14-10-6-7-21-11(10)12(17)15(13)8-2-4-9(5-3-8)16(18)19/h2-5H,6-7H2,1H3