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

Systemtic Name: 3-[[4-tert-butyl-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(cyclopropylmethyl)benzamide Openeye Name: 3-[[4-tert-butyl-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(cyclopropylmethyl)benzamide CAS Name: 3-[[[4-tert-butyl-6-(diethylamino)-2-pyrimidinyl]thio]methyl]-N-(cyclopropylmethyl)benzamide IUPAC Name: 3-[[4-tert-butyl-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(cyclopropylmethyl)benzamide Traditional Name: 3-[[[4-tert-butyl-6-(diethylamino)pyrimidin-2-yl]thio]methyl]-N-(cyclopropylmethyl)benzamide Formula: C24H34N4OS MolecularWeight: 426.61796

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=NC(=C1)C(C)(C)C)SCC2=CC=CC(=C2)C(=O)NCC3CC3

Isomeric SMILES

CCN(CC)C1=NC(=NC(=C1)C(C)(C)C)SCC2=CC=CC(=C2)C(=O)NCC3CC3

InChI

InChI=1S/C24H34N4OS/c1-6-28(7-2)21-14-20(24(3,4)5)26-23(27-21)30-16-18-9-8-10-19(13-18)22(29)25-15-17-11-12-17/h8-10,13-14,17H,6-7,11-12,15-16H2,1-5H3,(H,25,29)