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

Systemtic Name: 3-[[4-tert-butyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropyl-benzamide Openeye Name: 3-[[4-tert-butyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropyl-benzamide CAS Name: 3-[[[4-tert-butyl-6-(dimethylamino)-2-pyrimidinyl]thio]methyl]-N-cyclopropylbenzamide IUPAC Name: 3-[[4-tert-butyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropylbenzamide Traditional Name: 3-[[[4-tert-butyl-6-(dimethylamino)pyrimidin-2-yl]thio]methyl]-N-cyclopropyl-benzamide Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4OS/c1-21(2,3)17-12-18(25(4)5)24-20(23-17)27-13-14-7-6-8-15(11-14)19(26)22-16-9-10-16/h6-8,11-12,16H,9-10,13H2,1-5H3,(H,22,26)