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

Systemtic Name: 1-[4-(3-ethoxy-2-nitro-4-oxidanyl-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Openeye Name: 1-[4-(3-ethoxy-4-hydroxy-2-nitro-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]ethanone CAS Name: 1-[4-(3-ethoxy-4-hydroxy-2-nitrophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone IUPAC Name: 1-[4-(3-ethoxy-4-hydroxy-2-nitrophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Traditional Name: 1-[4-(3-ethoxy-4-hydroxy-2-nitro-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Formula: C15H17N3O5S MolecularWeight: 351.37758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1[N+](=O)[O-])C2C(=C(NC(=S)N2)C)C(=O)C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1[N+](=O)[O-])C2C(=C(NC(=S)N2)C)C(=O)C)O

InChI

InChI=1S/C15H17N3O5S/c1-4-23-14-10(20)6-5-9(13(14)18(21)22)12-11(8(3)19)7(2)16-15(24)17-12/h5-6,12,20H,4H2,1-3H3,(H2,16,17,24)