3-[[4,5-dimethyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: 3-[[4,5-dimethyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: 3-[[4,5-dimethyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[4,5-dimethyl-6-[methyl(propyl)amino]-2-pyrimidinyl]thio]methyl]benzoate IUPAC Name: 3-[[4,5-dimethyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[4,5-dimethyl-6-[methyl(propyl)amino]pyrimidin-2-yl]thio]methyl]benzoate Formula: C18H22N3O2S- MolecularWeight: 344.45118

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C)C1=NC(=NC(=C1C)C)SCC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CCCN(C)C1=NC(=NC(=C1C)C)SCC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C18H23N3O2S/c1-5-9-21(4)16-12(2)13(3)19-18(20-16)24-11-14-7-6-8-15(10-14)17(22)23/h6-8,10H,5,9,11H2,1-4H3,(H,22,23)/p-1