5-[(2-methoxy-5-nitro-phenyl)methyl]-6-oxidanyl-2-sulfanylidene-1H-pyrimidin-4-one

Systemtic Name: 5-[(2-methoxy-5-nitro-phenyl)methyl]-6-oxidanyl-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 6-hydroxy-5-[(2-methoxy-5-nitro-phenyl)methyl]-2-thioxo-1H-pyrimidin-4-one CAS Name: 6-hydroxy-5-[(2-methoxy-5-nitrophenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 6-hydroxy-5-[(2-methoxy-5-nitrophenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 6-hydroxy-5-(2-methoxy-5-nitro-benzyl)-2-thioxo-1H-pyrimidin-4-one Formula: C12H11N3O5S MolecularWeight: 309.29784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CC2=C(NC(=S)NC2=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CC2=C(NC(=S)NC2=O)O

InChI

InChI=1S/C12H11N3O5S/c1-20-9-3-2-7(15(18)19)4-6(9)5-8-10(16)13-12(21)14-11(8)17/h2-4H,5H2,1H3,(H3,13,14,16,17,21)