3-[[4-methyl-6-[methyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: 3-[[4-methyl-6-[methyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: 3-[[4-[benzyl(methyl)amino]-6-methyl-pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[4-methyl-6-[methyl-(phenylmethyl)amino]-2-pyrimidinyl]thio]methyl]benzoate IUPAC Name: 3-[[4-[benzyl(methyl)amino]-6-methylpyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[4-[benzyl(methyl)amino]-6-methyl-pyrimidin-2-yl]thio]methyl]benzoate Formula: C21H20N3O2S- MolecularWeight: 378.4674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)[O-])N(C)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)[O-])N(C)CC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O2S/c1-15-11-19(24(2)13-16-7-4-3-5-8-16)23-21(22-15)27-14-17-9-6-10-18(12-17)20(25)26/h3-12H,13-14H2,1-2H3,(H,25,26)/p-1