S-(4-methyl-6-morpholin-4-yl-pyrimidin-2-yl) 3-nitrobenzenecarbothioate

Systemtic Name: S-(4-methyl-6-morpholin-4-yl-pyrimidin-2-yl) 3-nitrobenzenecarbothioate Openeye Name: S-(4-methyl-6-morpholino-pyrimidin-2-yl) 3-nitrobenzenecarbothioate CAS Name: 3-nitrobenzenecarbothioic acid S-[4-methyl-6-(4-morpholinyl)-2-pyrimidinyl] ester IUPAC Name: S-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl) 3-nitrobenzenecarbothioate Traditional Name: 3-nitrothiobenzoic acid S-(4-methyl-6-morpholino-pyrimidin-2-yl) ester Formula: C16H16N4O4S MolecularWeight: 360.38764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC(=O)C2=CC(=CC=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CC1=CC(=NC(=N1)SC(=O)C2=CC(=CC=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C16H16N4O4S/c1-11-9-14(19-5-7-24-8-6-19)18-16(17-11)25-15(21)12-3-2-4-13(10-12)20(22)23/h2-4,9-10H,5-8H2,1H3