(6R)-3-methyl-4-methylsulfanyl-5-nitro-6-(4-nitrophenyl)-1,6-dihydropyrimidin-2-one

Systemtic Name: (6R)-3-methyl-4-methylsulfanyl-5-nitro-6-(4-nitrophenyl)-1,6-dihydropyrimidin-2-one Openeye Name: (6R)-3-methyl-4-methylsulfanyl-5-nitro-6-(4-nitrophenyl)-1,6-dihydropyrimidin-2-one CAS Name: (6R)-3-methyl-4-(methylthio)-5-nitro-6-(4-nitrophenyl)-1,6-dihydropyrimidin-2-one IUPAC Name: (6R)-3-methyl-4-methylsulfanyl-5-nitro-6-(4-nitrophenyl)-1,6-dihydropyrimidin-2-one Traditional Name: (6R)-3-methyl-4-(methylthio)-5-nitro-6-(4-nitrophenyl)-1,6-dihydropyrimidin-2-one Formula: C12H12N4O5S MolecularWeight: 324.31248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(NC1=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])SC

Isomeric SMILES

CN1C(=C([C@H](NC1=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])SC

InChI

InChI=1S/C12H12N4O5S/c1-14-11(22-2)10(16(20)21)9(13-12(14)17)7-3-5-8(6-4-7)15(18)19/h3-6,9H,1-2H3,(H,13,17)/t9-/m1/s1