4-[[4-chloranyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(3-methylbutyl)benzamide

Systemtic Name: 4-[[4-chloranyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(3-methylbutyl)benzamide Openeye Name: 4-[[4-chloro-6-(4-methyl-1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]-N-isopentyl-benzamide CAS Name: 4-[[[4-chloro-6-(4-methyl-1-piperidinyl)-2-pyrimidinyl]thio]methyl]-N-(3-methylbutyl)benzamide IUPAC Name: 4-[[4-chloro-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(3-methylbutyl)benzamide Traditional Name: 4-[[[4-chloro-6-(4-methylpiperidino)pyrimidin-2-yl]thio]methyl]-N-isoamyl-benzamide Formula: C23H31ClN4OS MolecularWeight: 447.03644

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)NCCC(C)C)Cl

Isomeric SMILES

CC1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)NCCC(C)C)Cl

InChI

InChI=1S/C23H31ClN4OS/c1-16(2)8-11-25-22(29)19-6-4-18(5-7-19)15-30-23-26-20(24)14-21(27-23)28-12-9-17(3)10-13-28/h4-7,14,16-17H,8-13,15H2,1-3H3,(H,25,29)