2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl-(pyridin-3-ylmethyl)amino]-N-(4-methoxyphenyl)-3-methyl-butanamide

Systemtic Name: 2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl-(pyridin-3-ylmethyl)amino]-N-(4-methoxyphenyl)-3-methyl-butanamide Openeye Name: 2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-(3-pyridylmethyl)amino]-N-(4-methoxyphenyl)-3-methyl-butanamide CAS Name: 2-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]-(3-pyridinylmethyl)amino]-N-(4-methoxyphenyl)-3-methylbutanamide IUPAC Name: 2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-(pyridin-3-ylmethyl)amino]-N-(4-methoxyphenyl)-3-methylbutanamide Traditional Name: 2-[[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]-(3-pyridylmethyl)amino]-N-(4-methoxyphenyl)-3-methyl-butyramide Formula: C26H31N5O3S MolecularWeight: 493.62104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N(CC2=CN=CC=C2)C(C(C)C)C(=O)NC3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N(CC2=CN=CC=C2)C(C(C)C)C(=O)NC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C26H31N5O3S/c1-17(2)24(25(33)30-21-8-10-22(34-5)11-9-21)31(15-20-7-6-12-27-14-20)23(32)16-35-26-28-18(3)13-19(4)29-26/h6-14,17,24H,15-16H2,1-5H3,(H,30,33)