3-[(4,5-dimethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-morpholin-4-yl-benzamide

Systemtic Name: 3-[(4,5-dimethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-morpholin-4-yl-benzamide Openeye Name: 3-[(4,5-dimethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-morpholino-benzamide CAS Name: 3-[[[4,5-dimethyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-N-(4-morpholinyl)benzamide IUPAC Name: 3-[(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-morpholin-4-ylbenzamide Traditional Name: 3-[[(4,5-dimethyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-N-morpholino-benzamide Formula: C22H29N5O2S MolecularWeight: 427.56296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N2CCCC2)SCC3=CC=CC(=C3)C(=O)NN4CCOCC4)C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCCC2)SCC3=CC=CC(=C3)C(=O)NN4CCOCC4)C

InChI

InChI=1S/C22H29N5O2S/c1-16-17(2)23-22(24-20(16)26-8-3-4-9-26)30-15-18-6-5-7-19(14-18)21(28)25-27-10-12-29-13-11-27/h5-7,14H,3-4,8-13,15H2,1-2H3,(H,25,28)