3-[3-(2-cyanopropyl)-2-methyl-5-oxidanyl-4-pyrimidin-5-yl-phenyl]-2-methyl-propanenitrile

Systemtic Name: 3-[3-(2-cyanopropyl)-2-methyl-5-oxidanyl-4-pyrimidin-5-yl-phenyl]-2-methyl-propanenitrile Openeye Name: 3-[3-(2-cyanopropyl)-5-hydroxy-2-methyl-4-pyrimidin-5-yl-phenyl]-2-methyl-propanenitrile CAS Name: 3-[3-(2-cyanopropyl)-5-hydroxy-2-methyl-4-(5-pyrimidinyl)phenyl]-2-methylpropanenitrile IUPAC Name: 3-[3-(2-cyanopropyl)-5-hydroxy-2-methyl-4-pyrimidin-5-ylphenyl]-2-methylpropanenitrile Traditional Name: 3-[3-(2-cyanopropyl)-5-hydroxy-2-methyl-4-(5-pyrimidyl)phenyl]-2-methyl-propionitrile Formula: C19H20N4O MolecularWeight: 320.3883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1CC(C)C#N)O)C2=CN=CN=C2)CC(C)C#N

Isomeric SMILES

CC1=C(C(=C(C=C1CC(C)C#N)O)C2=CN=CN=C2)CC(C)C#N

InChI

InChI=1S/C19H20N4O/c1-12(7-20)4-15-6-18(24)19(16-9-22-11-23-10-16)17(14(15)3)5-13(2)8-21/h6,9-13,24H,4-5H2,1-3H3