4-[(4,5-dimethyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]-N-propan-2-yl-benzamide

Systemtic Name: 4-[(4,5-dimethyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]-N-propan-2-yl-benzamide Openeye Name: 4-[(4,5-dimethyl-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]-N-isopropyl-benzamide CAS Name: 4-[[[4,5-dimethyl-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]-N-propan-2-ylbenzamide IUPAC Name: 4-[(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]-N-propan-2-ylbenzamide Traditional Name: 4-[[(4,5-dimethyl-6-morpholino-pyrimidin-2-yl)thio]methyl]-N-isopropyl-benzamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N2CCOCC2)SCC3=CC=C(C=C3)C(=O)NC(C)C)C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCOCC2)SCC3=CC=C(C=C3)C(=O)NC(C)C)C

InChI

InChI=1S/C21H28N4O2S/c1-14(2)22-20(26)18-7-5-17(6-8-18)13-28-21-23-16(4)15(3)19(24-21)25-9-11-27-12-10-25/h5-8,14H,9-13H2,1-4H3,(H,22,26)