N-[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]-2-thiomorpholin-4-yl-ethanamide

Systemtic Name: N-[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]-2-thiomorpholin-4-yl-ethanamide Openeye Name: N-[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]-2-thiomorpholino-acetamide CAS Name: N-[4-methyl-6-(3-nitrophenyl)-2-phenyl-5-pyrimidinyl]-2-thiomorpholin-4-ylacetamide IUPAC Name: N-[4-methyl-6-(3-nitrophenyl)-2-phenylpyrimidin-5-yl]-2-thiomorpholin-4-ylacetamide Traditional Name: N-[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]-2-thiomorpholino-acetamide Formula: C23H23N5O3S MolecularWeight: 449.52542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1NC(=O)CN2CCSCC2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=NC(=C1NC(=O)CN2CCSCC2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H23N5O3S/c1-16-21(25-20(29)15-27-10-12-32-13-11-27)22(18-8-5-9-19(14-18)28(30)31)26-23(24-16)17-6-3-2-4-7-17/h2-9,14H,10-13,15H2,1H3,(H,25,29)