2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxidanylidene-pyridin-1-yl]-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxidanylidene-pyridin-1-yl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridyl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxopyridin-1-yl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-4-keto-5-methoxy-1-pyridyl]-N-(3-nitrophenyl)acetamide Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC(=O)C(=CN2CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC(=O)C(=CN2CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])OC)C

InChI

InChI=1S/C21H21N5O5S/c1-13-7-14(2)23-21(22-13)32-12-17-9-18(27)19(31-3)10-25(17)11-20(28)24-15-5-4-6-16(8-15)26(29)30/h4-10H,11-12H2,1-3H3,(H,24,28)