3-[[4-[methyl(propyl)amino]-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 3-[[4-[methyl(propyl)amino]-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[4-[methyl(propyl)amino]-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[4-[methyl(propyl)amino]-6-phenyl-2-pyrimidinyl]thio]methyl]benzoic acid IUPAC Name: 3-[[4-[methyl(propyl)amino]-6-phenylpyrimidin-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[[4-[methyl(propyl)amino]-6-phenyl-pyrimidin-2-yl]thio]methyl]benzoic acid Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C)C1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCCN(C)C1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C22H23N3O2S/c1-3-12-25(2)20-14-19(17-9-5-4-6-10-17)23-22(24-20)28-15-16-8-7-11-18(13-16)21(26)27/h4-11,13-14H,3,12,15H2,1-2H3,(H,26,27)