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

Systemtic Name: 6-(dimethoxymethyl)-5-[(5-nitro-2-oxidanyl-phenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 6-(dimethoxymethyl)-5-[(2-hydroxy-5-nitro-phenyl)methyl]-2-thioxo-1H-pyrimidin-4-one CAS Name: 6-(dimethoxymethyl)-5-[(2-hydroxy-5-nitrophenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 6-(dimethoxymethyl)-5-[(2-hydroxy-5-nitrophenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 6-(dimethoxymethyl)-5-(2-hydroxy-5-nitro-benzyl)-2-thioxo-1H-pyrimidin-4-one Formula: C14H15N3O6S MolecularWeight: 353.3504

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=C(C(=O)NC(=S)N1)CC2=C(C=CC(=C2)[N+](=O)[O-])O)OC

Isomeric SMILES

COC(C1=C(C(=O)NC(=S)N1)CC2=C(C=CC(=C2)[N+](=O)[O-])O)OC

InChI

InChI=1S/C14H15N3O6S/c1-22-13(23-2)11-9(12(19)16-14(24)15-11)6-7-5-8(17(20)21)3-4-10(7)18/h3-5,13,18H,6H2,1-2H3,(H2,15,16,19,24)