3-[(4-ethyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(2-methoxyethyl)benzamide

Systemtic Name: 3-[(4-ethyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(2-methoxyethyl)benzamide Openeye Name: 3-[(4-ethyl-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]-N-(2-methoxyethyl)benzamide CAS Name: 3-[[[4-ethyl-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]-N-(2-methoxyethyl)benzamide IUPAC Name: 3-[(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]-N-(2-methoxyethyl)benzamide Traditional Name: 3-[[(4-ethyl-6-morpholino-pyrimidin-2-yl)thio]methyl]-N-(2-methoxyethyl)benzamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCCOC)N3CCOCC3

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCCOC)N3CCOCC3

InChI

InChI=1S/C21H28N4O3S/c1-3-18-14-19(25-8-11-28-12-9-25)24-21(23-18)29-15-16-5-4-6-17(13-16)20(26)22-7-10-27-2/h4-6,13-14H,3,7-12,15H2,1-2H3,(H,22,26)