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

Systemtic Name: 3-[(4-tert-butyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-propan-2-yl-benzamide Openeye Name: 3-[(4-tert-butyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-isopropyl-benzamide CAS Name: 3-[[[4-tert-butyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-N-propan-2-ylbenzamide IUPAC Name: 3-[(4-tert-butyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-propan-2-ylbenzamide Traditional Name: 3-[[(4-tert-butyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-N-isopropyl-benzamide Formula: C23H32N4OS MolecularWeight: 412.59138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4OS/c1-16(2)24-21(28)18-10-8-9-17(13-18)15-29-22-25-19(23(3,4)5)14-20(26-22)27-11-6-7-12-27/h8-10,13-14,16H,6-7,11-12,15H2,1-5H3,(H,24,28)