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

Systemtic Name: 2-(6-methyl-2-phenyl-pyrimidin-4-yl)sulfanyl-N-[[2-(6-methyl-2-phenyl-pyrimidin-4-yl)sulfanylethanoylamino]-(3-nitrophenyl)methyl]ethanamide Openeye Name: 2-(6-methyl-2-phenyl-pyrimidin-4-yl)sulfanyl-N-[[[2-(6-methyl-2-phenyl-pyrimidin-4-yl)sulfanylacetyl]amino]-(3-nitrophenyl)methyl]acetamide CAS Name: 2-[(6-methyl-2-phenyl-4-pyrimidinyl)thio]-N-[[[2-[(6-methyl-2-phenyl-4-pyrimidinyl)thio]-1-oxoethyl]amino]-(3-nitrophenyl)methyl]acetamide IUPAC Name: 2-(6-methyl-2-phenylpyrimidin-4-yl)sulfanyl-N-[[[2-(6-methyl-2-phenylpyrimidin-4-yl)sulfanylacetyl]amino]-(3-nitrophenyl)methyl]acetamide Traditional Name: 2-[(6-methyl-2-phenyl-pyrimidin-4-yl)thio]-N-[[[2-[(6-methyl-2-phenyl-pyrimidin-4-yl)thio]acetyl]amino]-(3-nitrophenyl)methyl]acetamide Formula: C33H29N7O4S2 MolecularWeight: 651.75786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C2=CC=CC=C2)SCC(=O)NC(C3=CC(=CC=C3)[N+](=O)[O-])NC(=O)CSC4=NC(=NC(=C4)C)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=NC(=N1)C2=CC=CC=C2)SCC(=O)NC(C3=CC(=CC=C3)[N+](=O)[O-])NC(=O)CSC4=NC(=NC(=C4)C)C5=CC=CC=C5

InChI

InChI=1S/C33H29N7O4S2/c1-21-16-29(38-31(34-21)23-10-5-3-6-11-23)45-19-27(41)36-33(25-14-9-15-26(18-25)40(43)44)37-28(42)20-46-30-17-22(2)35-32(39-30)24-12-7-4-8-13-24/h3-18,33H,19-20H2,1-2H3,(H,36,41)(H,37,42)