2-methylsulfanyl-4-(3-oxidanylpropylamino)-6-phenyl-pyrimidine-5-carbonitrile

Systemtic Name: 2-methylsulfanyl-4-(3-oxidanylpropylamino)-6-phenyl-pyrimidine-5-carbonitrile Openeye Name: 4-(3-hydroxypropylamino)-2-methylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile CAS Name: 4-(3-hydroxypropylamino)-2-(methylthio)-6-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 4-(3-hydroxypropylamino)-2-methylsulfanyl-6-phenylpyrimidine-5-carbonitrile Traditional Name: 4-(3-hydroxypropylamino)-2-(methylthio)-6-phenyl-pyrimidine-5-carbonitrile Formula: C15H16N4OS MolecularWeight: 300.37874

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)NCCCO)C#N)C2=CC=CC=C2

Isomeric SMILES

CSC1=NC(=C(C(=N1)NCCCO)C#N)C2=CC=CC=C2

InChI

InChI=1S/C15H16N4OS/c1-21-15-18-13(11-6-3-2-4-7-11)12(10-16)14(19-15)17-8-5-9-20/h2-4,6-7,20H,5,8-9H2,1H3,(H,17,18,19)