3-methyl-2-[(4-nitrophenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-methyl-2-[(4-nitrophenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-methyl-2-[(4-nitrophenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-methyl-2-[(4-nitrophenyl)methylthio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-methyl-2-[(4-nitrophenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-methyl-2-[(4-nitrobenzyl)thio]thieno[2,3-d]pyrimidin-4-one Formula: C14H11N3O3S2 MolecularWeight: 333.38544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3O3S2/c1-16-13(18)11-6-7-21-12(11)15-14(16)22-8-9-2-4-10(5-3-9)17(19)20/h2-7H,8H2,1H3