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

Systemtic Name: 4-(4-chlorophenyl)-2-methylsulfanyl-6-(3-oxidanylpropylamino)pyrimidine-5-carbonitrile Openeye Name: 4-(4-chlorophenyl)-6-(3-hydroxypropylamino)-2-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-(4-chlorophenyl)-6-(3-hydroxypropylamino)-2-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-chlorophenyl)-6-(3-hydroxypropylamino)-2-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-(4-chlorophenyl)-6-(3-hydroxypropylamino)-2-(methylthio)pyrimidine-5-carbonitrile Formula: C15H15ClN4OS MolecularWeight: 334.8238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClN4OS/c1-22-15-19-13(10-3-5-11(16)6-4-10)12(9-17)14(20-15)18-7-2-8-21/h3-6,21H,2,7-8H2,1H3,(H,18,19,20)