3-[phenyl(pyrimidin-2-yl)amino]propanethioamide

Systemtic Name: 3-[phenyl(pyrimidin-2-yl)amino]propanethioamide Openeye Name: 3-(N-pyrimidin-2-ylanilino)propanethioamide CAS Name: 3-[N-(2-pyrimidinyl)anilino]propanethioamide IUPAC Name: 3-(N-pyrimidin-2-ylanilino)propanethioamide Traditional Name: 3-[N-(2-pyrimidyl)anilino]thiopropionamide Formula: C13H14N4S MolecularWeight: 258.34206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC(=S)N)C2=NC=CC=N2

Isomeric SMILES

C1=CC=C(C=C1)N(CCC(=S)N)C2=NC=CC=N2

InChI

InChI=1S/C13H14N4S/c14-12(18)7-10-17(11-5-2-1-3-6-11)13-15-8-4-9-16-13/h1-6,8-9H,7,10H2,(H2,14,18)