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

Systemtic Name: 3-[(4,5-dimethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-ethyl-N-methyl-benzamide Openeye Name: 3-[(4,5-dimethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-ethyl-N-methyl-benzamide CAS Name: 3-[[[4,5-dimethyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-N-ethyl-N-methylbenzamide IUPAC Name: 3-[(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-ethyl-N-methylbenzamide Traditional Name: 3-[[(4,5-dimethyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-N-ethyl-N-methyl-benzamide Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C)C(=O)C1=CC(=CC=C1)CSC2=NC(=C(C(=N2)N3CCCC3)C)C

Isomeric SMILES

CCN(C)C(=O)C1=CC(=CC=C1)CSC2=NC(=C(C(=N2)N3CCCC3)C)C

InChI

InChI=1S/C21H28N4OS/c1-5-24(4)20(26)18-10-8-9-17(13-18)14-27-21-22-16(3)15(2)19(23-21)25-11-6-7-12-25/h8-10,13H,5-7,11-12,14H2,1-4H3