2-[[4-(2-hydroxyethyl)phenyl]amino]-4-[4-(2-oxidanylpropan-2-yl)phenyl]pyrimidine-5-carbonitrile

Systemtic Name: 2-[[4-(2-hydroxyethyl)phenyl]amino]-4-[4-(2-oxidanylpropan-2-yl)phenyl]pyrimidine-5-carbonitrile Openeye Name: 2-[4-(2-hydroxyethyl)anilino]-4-[4-(1-hydroxy-1-methyl-ethyl)phenyl]pyrimidine-5-carbonitrile CAS Name: 2-[4-(2-hydroxyethyl)anilino]-4-[4-(2-hydroxypropan-2-yl)phenyl]-5-pyrimidinecarbonitrile IUPAC Name: 2-[4-(2-hydroxyethyl)anilino]-4-[4-(2-hydroxypropan-2-yl)phenyl]pyrimidine-5-carbonitrile Traditional Name: 2-[4-(2-hydroxyethyl)anilino]-4-[4-(1-hydroxy-1-methyl-ethyl)phenyl]pyrimidine-5-carbonitrile Formula: C22H22N4O2 MolecularWeight: 374.43568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)C2=NC(=NC=C2C#N)NC3=CC=C(C=C3)CCO)O

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)C2=NC(=NC=C2C#N)NC3=CC=C(C=C3)CCO)O

InChI

InChI=1S/C22H22N4O2/c1-22(2,28)18-7-5-16(6-8-18)20-17(13-23)14-24-21(26-20)25-19-9-3-15(4-10-19)11-12-27/h3-10,14,27-28H,11-12H2,1-2H3,(H,24,25,26)