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

Systemtic Name: 4-[4-(2-azanylpropan-2-yl)phenyl]-2-[[4-(2-hydroxyethyl)phenyl]amino]pyrimidine-5-carbonitrile Openeye Name: 4-[4-(1-amino-1-methyl-ethyl)phenyl]-2-[4-(2-hydroxyethyl)anilino]pyrimidine-5-carbonitrile CAS Name: 4-[4-(2-aminopropan-2-yl)phenyl]-2-[4-(2-hydroxyethyl)anilino]-5-pyrimidinecarbonitrile IUPAC Name: 4-[4-(2-aminopropan-2-yl)phenyl]-2-[4-(2-hydroxyethyl)anilino]pyrimidine-5-carbonitrile Traditional Name: 4-[4-(1-amino-1-methyl-ethyl)phenyl]-2-[4-(2-hydroxyethyl)anilino]pyrimidine-5-carbonitrile Formula: C22H23N5O MolecularWeight: 373.45092

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O/c1-22(2,24)18-7-5-16(6-8-18)20-17(13-23)14-25-21(27-20)26-19-9-3-15(4-10-19)11-12-28/h3-10,14,28H,11-12,24H2,1-2H3,(H,25,26,27)