2-[4-[[4-(2-hydroxyethylsulfanyl)-2-methyl-6-propyl-pyrimidin-5-yl]methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[4-(2-hydroxyethylsulfanyl)-2-methyl-6-propyl-pyrimidin-5-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[4-(2-hydroxyethylsulfanyl)-2-methyl-6-propyl-pyrimidin-5-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[4-(2-hydroxyethylthio)-2-methyl-6-propyl-5-pyrimidinyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[4-(2-hydroxyethylsulfanyl)-2-methyl-6-propylpyrimidin-5-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[4-(2-hydroxyethylthio)-2-methyl-6-propyl-pyrimidin-5-yl]methyl]phenyl]benzonitrile Formula: C24H25N3OS MolecularWeight: 403.5398

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NC(=N1)C)SCCO)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CCCC1=C(C(=NC(=N1)C)SCCO)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C24H25N3OS/c1-3-6-23-22(24(29-14-13-28)27-17(2)26-23)15-18-9-11-19(12-10-18)21-8-5-4-7-20(21)16-25/h4-5,7-12,28H,3,6,13-15H2,1-2H3