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

Systemtic Name: 3-[[4-ethyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-yl-benzamide Openeye Name: 3-[[4-ethyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-isopropyl-benzamide CAS Name: 3-[[[4-ethyl-6-[methyl(propyl)amino]-2-pyrimidinyl]thio]methyl]-N-propan-2-ylbenzamide IUPAC Name: 3-[[4-ethyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-ylbenzamide Traditional Name: 3-[[[4-ethyl-6-[methyl(propyl)amino]pyrimidin-2-yl]thio]methyl]-N-isopropyl-benzamide Formula: C21H30N4OS MolecularWeight: 386.5541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4OS/c1-6-11-25(5)19-13-18(7-2)23-21(24-19)27-14-16-9-8-10-17(12-16)20(26)22-15(3)4/h8-10,12-13,15H,6-7,11,14H2,1-5H3,(H,22,26)