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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)NC1=CC=C(C=C1)OC)N(CC2=CN=CC=C2)C(=O)CSC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCC(C)(C(=O)NC1=CC=C(C=C1)OC)N(CC2=CN=CC=C2)C(=O)CSC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C26H31N5O3S/c1-6-26(4,24(33)30-21-9-11-22(34-5)12-10-21)31(16-20-8-7-13-27-15-20)23(32)17-35-25-28-18(2)14-19(3)29-25/h7-15H,6,16-17H2,1-5H3,(H,30,33)