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

Systemtic Name: 4-(4-methylphenyl)-2-methylsulfanyl-6-(3-oxidanylpropylamino)pyrimidine-5-carbonitrile Openeye Name: 4-(3-hydroxypropylamino)-2-methylsulfanyl-6-(p-tolyl)pyrimidine-5-carbonitrile CAS Name: 4-(3-hydroxypropylamino)-6-(4-methylphenyl)-2-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-(3-hydroxypropylamino)-6-(4-methylphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-(3-hydroxypropylamino)-2-(methylthio)-6-(p-tolyl)pyrimidine-5-carbonitrile Formula: C16H18N4OS MolecularWeight: 314.40532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)NCCCO)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)NCCCO)C#N

InChI

InChI=1S/C16H18N4OS/c1-11-4-6-12(7-5-11)14-13(10-17)15(18-8-3-9-21)20-16(19-14)22-2/h4-7,21H,3,8-9H2,1-2H3,(H,18,19,20)