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

Systemtic Name: 4-[[4-ethyl-6-[methyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-(2-methylpropyl)benzamide Openeye Name: 4-[[4-[benzyl(methyl)amino]-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-isobutyl-benzamide CAS Name: 4-[[[4-ethyl-6-[methyl-(phenylmethyl)amino]-2-pyrimidinyl]thio]methyl]-N-(2-methylpropyl)benzamide IUPAC Name: 4-[[4-[benzyl(methyl)amino]-6-ethylpyrimidin-2-yl]sulfanylmethyl]-N-(2-methylpropyl)benzamide Traditional Name: 4-[[[4-[benzyl(methyl)amino]-6-ethyl-pyrimidin-2-yl]thio]methyl]-N-isobutyl-benzamide Formula: C26H32N4OS MolecularWeight: 448.62348

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCC(C)C)N(C)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCC(C)C)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C26H32N4OS/c1-5-23-15-24(30(4)17-20-9-7-6-8-10-20)29-26(28-23)32-18-21-11-13-22(14-12-21)25(31)27-16-19(2)3/h6-15,19H,5,16-18H2,1-4H3,(H,27,31)