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

Systemtic Name: 3-[[4-(methoxymethyl)-6-[methyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: 3-[[4-[benzyl(methyl)amino]-6-(methoxymethyl)pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[4-(methoxymethyl)-6-[methyl-(phenylmethyl)amino]-2-pyrimidinyl]thio]methyl]benzoate IUPAC Name: 3-[[4-[benzyl(methyl)amino]-6-(methoxymethyl)pyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[4-[benzyl(methyl)amino]-6-(methoxymethyl)pyrimidin-2-yl]thio]methyl]benzoate Formula: C22H22N3O3S- MolecularWeight: 408.49338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S/c1-25(13-16-7-4-3-5-8-16)20-12-19(14-28-2)23-22(24-20)29-15-17-9-6-10-18(11-17)21(26)27/h3-12H,13-15H2,1-2H3,(H,26,27)/p-1