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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC(C3=CC(=CC=C3)[N+](=O)[O-])NC(=O)CSC4=NC(=CC(=N4)C)C5=CC=CC=C5

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC(C3=CC(=CC=C3)[N+](=O)[O-])NC(=O)CSC4=NC(=CC(=N4)C)C5=CC=CC=C5

InChI

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