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

Systemtic Name: 4-[[4-(4-methanoyl-2,6-dimethyl-phenoxy)pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-(4-formyl-2,6-dimethyl-phenoxy)pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-(4-formyl-2,6-dimethylphenoxy)-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-(4-formyl-2,6-dimethylphenoxy)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-(4-formyl-2,6-dimethyl-phenoxy)pyrimidin-2-yl]amino]benzonitrile Formula: C20H16N4O2 MolecularWeight: 344.36664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N4O2/c1-13-9-16(12-25)10-14(2)19(13)26-18-7-8-22-20(24-18)23-17-5-3-15(11-21)4-6-17/h3-10,12H,1-2H3,(H,22,23,24)