1-[4-(3-methoxy-2-nitro-4-oxidanyl-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone

Systemtic Name: 1-[4-(3-methoxy-2-nitro-4-oxidanyl-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Openeye Name: 1-[4-(4-hydroxy-3-methoxy-2-nitro-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]ethanone CAS Name: 1-[4-(4-hydroxy-3-methoxy-2-nitrophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone IUPAC Name: 1-[4-(4-hydroxy-3-methoxy-2-nitrophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Traditional Name: 1-[4-(4-hydroxy-3-methoxy-2-nitro-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Formula: C14H15N3O5S MolecularWeight: 337.351

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=C(C(=C(C=C2)O)OC)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=C(C(=C(C=C2)O)OC)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C14H15N3O5S/c1-6-10(7(2)18)11(16-14(23)15-6)8-4-5-9(19)13(22-3)12(8)17(20)21/h4-5,11,19H,1-3H3,(H2,15,16,23)