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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)N3CCOCC3)C(C)C

Isomeric SMILES

CCNC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)N3CCOCC3)C(C)C

InChI

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