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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4OS/c1-6-10-25(5)19-11-16(4)23-21(24-19)27-14-17-8-7-9-18(12-17)20(26)22-13-15(2)3/h7-9,11-12,15H,6,10,13-14H2,1-5H3,(H,22,26)