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

Systemtic Name: 3-methyl-2-[(4-nitrophenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Openeye Name: 3-methyl-2-[(4-nitrophenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one CAS Name: 3-methyl-2-[(4-nitrophenyl)methylthio]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one IUPAC Name: 3-methyl-2-[(4-nitrophenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Traditional Name: 3-methyl-2-[(4-nitrobenzyl)thio]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Formula: C14H13N3O3S2 MolecularWeight: 335.40132

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(CCS2)N=C1SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=C(CCS2)N=C1SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O3S2/c1-16-13(18)12-11(6-7-21-12)15-14(16)22-8-9-2-4-10(5-3-9)17(19)20/h2-5H,6-8H2,1H3