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

Systemtic Name: 3-[[4-tert-butyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-yl-benzamide Openeye Name: 3-[[4-tert-butyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-isopropyl-benzamide CAS Name: 3-[[[4-tert-butyl-6-[methyl(propyl)amino]-2-pyrimidinyl]thio]methyl]-N-propan-2-ylbenzamide IUPAC Name: 3-[[4-tert-butyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-ylbenzamide Traditional Name: 3-[[[4-tert-butyl-6-[methyl(propyl)amino]pyrimidin-2-yl]thio]methyl]-N-isopropyl-benzamide Formula: C23H34N4OS MolecularWeight: 414.60726

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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)NC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H34N4OS/c1-8-12-27(7)20-14-19(23(4,5)6)25-22(26-20)29-15-17-10-9-11-18(13-17)21(28)24-16(2)3/h9-11,13-14,16H,8,12,15H2,1-7H3,(H,24,28)