5-(5-phenylpyrimidin-4-yl)sulfanylpentanoate

Systemtic Name: 5-(5-phenylpyrimidin-4-yl)sulfanylpentanoate Openeye Name: 5-(5-phenylpyrimidin-4-yl)sulfanylpentanoate CAS Name: 5-[(5-phenyl-4-pyrimidinyl)thio]pentanoate IUPAC Name: 5-(5-phenylpyrimidin-4-yl)sulfanylpentanoate Traditional Name: 5-[(5-phenylpyrimidin-4-yl)thio]valerate Formula: C15H15N2O2S- MolecularWeight: 287.3568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=CN=C2SCCCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=CN=C2SCCCCC(=O)[O-]

InChI

InChI=1S/C15H16N2O2S/c18-14(19)8-4-5-9-20-15-13(10-16-11-17-15)12-6-2-1-3-7-12/h1-3,6-7,10-11H,4-5,8-9H2,(H,18,19)/p-1