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

Systemtic Name: 3-[(4-chloranyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]-N-phenethyl-benzamide Openeye Name: 3-[(4-chloro-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]-N-phenethyl-benzamide CAS Name: 3-[[[4-chloro-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]-N-phenethylbenzamide IUPAC Name: 3-[(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]-N-phenethylbenzamide Traditional Name: 3-[[(4-chloro-6-morpholino-pyrimidin-2-yl)thio]methyl]-N-phenethyl-benzamide Formula: C24H25ClN4O2S MolecularWeight: 468.9989

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NCCC4=CC=CC=C4)Cl

Isomeric SMILES

C1COCCN1C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NCCC4=CC=CC=C4)Cl

InChI

InChI=1S/C24H25ClN4O2S/c25-21-16-22(29-11-13-31-14-12-29)28-24(27-21)32-17-19-7-4-8-20(15-19)23(30)26-10-9-18-5-2-1-3-6-18/h1-8,15-16H,9-14,17H2,(H,26,30)