2-(3-azanylpropylsulfanyl)-6-(trifluoromethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-(3-azanylpropylsulfanyl)-6-(trifluoromethyl)-1H-pyrimidin-4-one Openeye Name: 2-(3-aminopropylsulfanyl)-6-(trifluoromethyl)-1H-pyrimidin-4-one CAS Name: 2-(3-aminopropylthio)-6-(trifluoromethyl)-1H-pyrimidin-4-one IUPAC Name: 2-(3-aminopropylsulfanyl)-6-(trifluoromethyl)-1H-pyrimidin-4-one Traditional Name: 2-(3-aminopropylthio)-6-(trifluoromethyl)-1H-pyrimidin-4-one Formula: C8H10F3N3OS MolecularWeight: 253.24471

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC(=NC1=O)SCCCN)C(F)(F)F

Isomeric SMILES

C1=C(NC(=NC1=O)SCCCN)C(F)(F)F

InChI

InChI=1S/C8H10F3N3OS/c9-8(10,11)5-4-6(15)14-7(13-5)16-3-1-2-12/h4H,1-3,12H2,(H,13,14,15)