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

Systemtic Name: 3-[[4-[cyclohexyl(methyl)amino]-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-morpholin-4-yl-benzamide Openeye Name: 3-[[4-[cyclohexyl(methyl)amino]-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-morpholino-benzamide CAS Name: 3-[[[4-[cyclohexyl(methyl)amino]-6-ethyl-2-pyrimidinyl]thio]methyl]-N-(4-morpholinyl)benzamide IUPAC Name: 3-[[4-[cyclohexyl(methyl)amino]-6-ethylpyrimidin-2-yl]sulfanylmethyl]-N-morpholin-4-ylbenzamide Traditional Name: 3-[[[4-[cyclohexyl(methyl)amino]-6-ethyl-pyrimidin-2-yl]thio]methyl]-N-morpholino-benzamide Formula: C25H35N5O2S MolecularWeight: 469.6427

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NN3CCOCC3)N(C)C4CCCCC4

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NN3CCOCC3)N(C)C4CCCCC4

InChI

InChI=1S/C25H35N5O2S/c1-3-21-17-23(29(2)22-10-5-4-6-11-22)27-25(26-21)33-18-19-8-7-9-20(16-19)24(31)28-30-12-14-32-15-13-30/h7-9,16-17,22H,3-6,10-15,18H2,1-2H3,(H,28,31)