3-[(4-chloranyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]-N-pentyl-benzamide

Systemtic Name: 3-[(4-chloranyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]-N-pentyl-benzamide Openeye Name: 3-[(4-chloro-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]-N-pentyl-benzamide CAS Name: 3-[[[4-chloro-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]-N-pentylbenzamide IUPAC Name: 3-[(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]-N-pentylbenzamide Traditional Name: N-amyl-3-[[(4-chloro-6-morpholino-pyrimidin-2-yl)thio]methyl]benzamide Formula: C21H27ClN4O2S MolecularWeight: 434.98268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N3CCOCC3

Isomeric SMILES

CCCCCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N3CCOCC3

InChI

InChI=1S/C21H27ClN4O2S/c1-2-3-4-8-23-20(27)17-7-5-6-16(13-17)15-29-21-24-18(22)14-19(25-21)26-9-11-28-12-10-26/h5-7,13-14H,2-4,8-12,15H2,1H3,(H,23,27)