3-[(4-tert-butyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-ethyl-benzamide

Systemtic Name: 3-[(4-tert-butyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-ethyl-benzamide Openeye Name: 3-[(4-tert-butyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-ethyl-benzamide CAS Name: 3-[[[4-tert-butyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-N-ethylbenzamide IUPAC Name: 3-[(4-tert-butyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-ethylbenzamide Traditional Name: 3-[[(4-tert-butyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-N-ethyl-benzamide Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4OS/c1-5-23-20(27)17-10-8-9-16(13-17)15-28-21-24-18(22(2,3)4)14-19(25-21)26-11-6-7-12-26/h8-10,13-14H,5-7,11-12,15H2,1-4H3,(H,23,27)