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

Systemtic Name: 3-[(4-tert-butyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-cyclopropyl-benzamide Openeye Name: 3-[(4-tert-butyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-cyclopropyl-benzamide CAS Name: 3-[[[4-tert-butyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-N-cyclopropylbenzamide IUPAC Name: 3-[(4-tert-butyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-cyclopropylbenzamide Traditional Name: 3-[[(4-tert-butyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-N-cyclopropyl-benzamide Formula: C23H30N4OS MolecularWeight: 410.5755

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NC3CC3)N4CCCC4

Isomeric SMILES

CC(C)(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NC3CC3)N4CCCC4

InChI

InChI=1S/C23H30N4OS/c1-23(2,3)19-14-20(27-11-4-5-12-27)26-22(25-19)29-15-16-7-6-8-17(13-16)21(28)24-18-9-10-18/h6-8,13-14,18H,4-5,9-12,15H2,1-3H3,(H,24,28)