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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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