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

Systemtic Name: 3-[[4-chloranyl-6-[methyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: 3-[[4-[benzyl(methyl)amino]-6-chloro-pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[4-chloro-6-[methyl-(phenylmethyl)amino]-2-pyrimidinyl]thio]methyl]benzoate IUPAC Name: 3-[[4-[benzyl(methyl)amino]-6-chloropyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[4-[benzyl(methyl)amino]-6-chloro-pyrimidin-2-yl]thio]methyl]benzoate Formula: C20H17ClN3O2S- MolecularWeight: 398.88588

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)[O-])Cl

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)[O-])Cl

InChI

InChI=1S/C20H18ClN3O2S/c1-24(12-14-6-3-2-4-7-14)18-11-17(21)22-20(23-18)27-13-15-8-5-9-16(10-15)19(25)26/h2-11H,12-13H2,1H3,(H,25,26)/p-1