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

Systemtic Name: 3-[[4-[methyl(propyl)amino]-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: 3-[[4-isopropyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[4-[methyl(propyl)amino]-6-propan-2-yl-2-pyrimidinyl]thio]methyl]benzoate IUPAC Name: 3-[[4-[methyl(propyl)amino]-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[4-isopropyl-6-[methyl(propyl)amino]pyrimidin-2-yl]thio]methyl]benzoate Formula: C19H24N3O2S- MolecularWeight: 358.47776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O2S/c1-5-9-22(4)17-11-16(13(2)3)20-19(21-17)25-12-14-7-6-8-15(10-14)18(23)24/h6-8,10-11,13H,5,9,12H2,1-4H3,(H,23,24)/p-1