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

Systemtic Name: 3-[(4-chloranyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]-N-cyclohexyl-benzamide Openeye Name: 3-[(4-chloro-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]-N-cyclohexyl-benzamide CAS Name: 3-[[[4-chloro-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]-N-cyclohexylbenzamide IUPAC Name: 3-[(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]-N-cyclohexylbenzamide Traditional Name: 3-[[(4-chloro-6-morpholino-pyrimidin-2-yl)thio]methyl]-N-cyclohexyl-benzamide Formula: C22H27ClN4O2S MolecularWeight: 446.99338

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)Cl)N4CCOCC4

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)Cl)N4CCOCC4

InChI

InChI=1S/C22H27ClN4O2S/c23-19-14-20(27-9-11-29-12-10-27)26-22(25-19)30-15-16-5-4-6-17(13-16)21(28)24-18-7-2-1-3-8-18/h4-6,13-14,18H,1-3,7-12,15H2,(H,24,28)