2-[2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxidanylidene-pyridin-1-yl]ethanoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxidanylidene-pyridin-1-yl]ethanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridyl]acetyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-5-methoxy-4-oxo-1-pyridinyl]-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-oxopyridin-1-yl]acetyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-4-keto-5-methoxy-1-pyridyl]acetyl]amino]-3-methyl-butyric acid Formula: C20H26N4O5S MolecularWeight: 434.50924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O5S/c1-11(2)18(19(27)28)23-17(26)9-24-8-16(29-5)15(25)7-14(24)10-30-20-21-12(3)6-13(4)22-20/h6-8,11,18H,9-10H2,1-5H3,(H,23,26)(H,27,28)