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

Systemtic Name: 3-[[4-tert-butyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(cyclopropylmethyl)benzamide Openeye Name: 3-[[4-tert-butyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(cyclopropylmethyl)benzamide CAS Name: 3-[[[4-tert-butyl-6-(dimethylamino)-2-pyrimidinyl]thio]methyl]-N-(cyclopropylmethyl)benzamide IUPAC Name: 3-[[4-tert-butyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(cyclopropylmethyl)benzamide Traditional Name: 3-[[[4-tert-butyl-6-(dimethylamino)pyrimidin-2-yl]thio]methyl]-N-(cyclopropylmethyl)benzamide Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3CC3)N(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3CC3)N(C)C

InChI

InChI=1S/C22H30N4OS/c1-22(2,3)18-12-19(26(4)5)25-21(24-18)28-14-16-7-6-8-17(11-16)20(27)23-13-15-9-10-15/h6-8,11-12,15H,9-10,13-14H2,1-5H3,(H,23,27)