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

Systemtic Name: 2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl-(pyridin-3-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)butanamide Openeye Name: 2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-(3-pyridylmethyl)amino]-N-(4-morpholinophenyl)butanamide CAS Name: 2-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]-(3-pyridinylmethyl)amino]-N-[4-(4-morpholinyl)phenyl]butanamide IUPAC Name: 2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-(pyridin-3-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)butanamide Traditional Name: 2-[[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]-(3-pyridylmethyl)amino]-N-(4-morpholinophenyl)butyramide Formula: C28H34N6O3S MolecularWeight: 534.67296

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)N(CC3=CN=CC=C3)C(=O)CSC4=NC(=CC(=N4)C)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)N(CC3=CN=CC=C3)C(=O)CSC4=NC(=CC(=N4)C)C

InChI

InChI=1S/C28H34N6O3S/c1-4-25(27(36)32-23-7-9-24(10-8-23)33-12-14-37-15-13-33)34(18-22-6-5-11-29-17-22)26(35)19-38-28-30-20(2)16-21(3)31-28/h5-11,16-17,25H,4,12-15,18-19H2,1-3H3,(H,32,36)