3-[[4,5-dimethyl-6-[methyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-yl-benzamide

Systemtic Name: 3-[[4,5-dimethyl-6-[methyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-yl-benzamide Openeye Name: 3-[[4-[benzyl(methyl)amino]-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]-N-isopropyl-benzamide CAS Name: 3-[[[4,5-dimethyl-6-[methyl-(phenylmethyl)amino]-2-pyrimidinyl]thio]methyl]-N-propan-2-ylbenzamide IUPAC Name: 3-[[4-[benzyl(methyl)amino]-5,6-dimethylpyrimidin-2-yl]sulfanylmethyl]-N-propan-2-ylbenzamide Traditional Name: 3-[[[4-[benzyl(methyl)amino]-5,6-dimethyl-pyrimidin-2-yl]thio]methyl]-N-isopropyl-benzamide Formula: C25H30N4OS MolecularWeight: 434.5969

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N(C)CC2=CC=CC=C2)SCC3=CC=CC(=C3)C(=O)NC(C)C)C

Isomeric SMILES

CC1=C(N=C(N=C1N(C)CC2=CC=CC=C2)SCC3=CC=CC(=C3)C(=O)NC(C)C)C

InChI

InChI=1S/C25H30N4OS/c1-17(2)26-24(30)22-13-9-12-21(14-22)16-31-25-27-19(4)18(3)23(28-25)29(5)15-20-10-7-6-8-11-20/h6-14,17H,15-16H2,1-5H3,(H,26,30)