3-[[4-tert-butyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-benzamide

Systemtic Name: 3-[[4-tert-butyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-benzamide Openeye Name: 3-[[4-tert-butyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-benzamide CAS Name: 3-[[[4-tert-butyl-6-[methyl(propyl)amino]-2-pyrimidinyl]thio]methyl]-N-ethylbenzamide IUPAC Name: 3-[[4-tert-butyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-ethylbenzamide Traditional Name: 3-[[[4-tert-butyl-6-[methyl(propyl)amino]pyrimidin-2-yl]thio]methyl]-N-ethyl-benzamide Formula: C22H32N4OS MolecularWeight: 400.58068

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C)C1=NC(=NC(=C1)C(C)(C)C)SCC2=CC=CC(=C2)C(=O)NCC

Isomeric SMILES

CCCN(C)C1=NC(=NC(=C1)C(C)(C)C)SCC2=CC=CC(=C2)C(=O)NCC

InChI

InChI=1S/C22H32N4OS/c1-7-12-26(6)19-14-18(22(3,4)5)24-21(25-19)28-15-16-10-9-11-17(13-16)20(27)23-8-2/h9-11,13-14H,7-8,12,15H2,1-6H3,(H,23,27)