4-[[4-azanyl-6-(4-ethynyl-2,6-dimethyl-phenoxy)pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-azanyl-6-(4-ethynyl-2,6-dimethyl-phenoxy)pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-amino-6-(4-ethynyl-2,6-dimethyl-phenoxy)pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-amino-6-(4-ethynyl-2,6-dimethylphenoxy)-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-amino-6-(4-ethynyl-2,6-dimethylphenoxy)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-amino-6-(4-ethynyl-2,6-dimethyl-phenoxy)pyrimidin-2-yl]amino]benzonitrile Formula: C21H17N5O MolecularWeight: 355.39258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=NC(=NC(=C2)N)NC3=CC=C(C=C3)C#N)C)C#C

Isomeric SMILES

CC1=CC(=CC(=C1OC2=NC(=NC(=C2)N)NC3=CC=C(C=C3)C#N)C)C#C

InChI

InChI=1S/C21H17N5O/c1-4-15-9-13(2)20(14(3)10-15)27-19-11-18(23)25-21(26-19)24-17-7-5-16(12-22)6-8-17/h1,5-11H,2-3H3,(H3,23,24,25,26)