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

Systemtic Name: 4-(4-tert-butylphenyl)-2-methylsulfanyl-6-(3-oxidanylpropylamino)pyrimidine-5-carbonitrile Openeye Name: 4-(4-tert-butylphenyl)-6-(3-hydroxypropylamino)-2-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-(4-tert-butylphenyl)-6-(3-hydroxypropylamino)-2-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-tert-butylphenyl)-6-(3-hydroxypropylamino)-2-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-(4-tert-butylphenyl)-6-(3-hydroxypropylamino)-2-(methylthio)pyrimidine-5-carbonitrile Formula: C19H24N4OS MolecularWeight: 356.48506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4OS/c1-19(2,3)14-8-6-13(7-9-14)16-15(12-20)17(21-10-5-11-24)23-18(22-16)25-4/h6-9,24H,5,10-11H2,1-4H3,(H,21,22,23)