4-[2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxidanylidene-pyridin-1-yl]ethanoylamino]benzamide

Systemtic Name: 4-[2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxidanylidene-pyridin-1-yl]ethanoylamino]benzamide Openeye Name: 4-[[2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridyl]acetyl]amino]benzamide CAS Name: 4-[[2-[2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-5-methoxy-4-oxo-1-pyridinyl]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxopyridin-1-yl]acetyl]amino]benzamide Traditional Name: 4-[[2-[2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-4-keto-5-methoxy-1-pyridyl]acetyl]amino]benzamide Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC(=O)C(=CN2CC(=O)NC3=CC=C(C=C3)C(=O)N)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC(=O)C(=CN2CC(=O)NC3=CC=C(C=C3)C(=O)N)OC)C

InChI

InChI=1S/C22H23N5O4S/c1-13-8-14(2)25-22(24-13)32-12-17-9-18(28)19(31-3)10-27(17)11-20(29)26-16-6-4-15(5-7-16)21(23)30/h4-10H,11-12H2,1-3H3,(H2,23,30)(H,26,29)