N-[4-(4-cyano-2,6-dimethyl-phenoxy)-2-[(4-cyanophenyl)amino]pyrimidin-5-yl]ethanamide

Systemtic Name: N-[4-(4-cyano-2,6-dimethyl-phenoxy)-2-[(4-cyanophenyl)amino]pyrimidin-5-yl]ethanamide Openeye Name: N-[2-(4-cyanoanilino)-4-(4-cyano-2,6-dimethyl-phenoxy)pyrimidin-5-yl]acetamide CAS Name: N-[2-(4-cyanoanilino)-4-(4-cyano-2,6-dimethylphenoxy)-5-pyrimidinyl]acetamide IUPAC Name: N-[2-(4-cyanoanilino)-4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-5-yl]acetamide Traditional Name: N-[2-(4-cyanoanilino)-4-(4-cyano-2,6-dimethyl-phenoxy)pyrimidin-5-yl]acetamide Formula: C22H18N6O2 MolecularWeight: 398.41732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=NC(=NC=C2NC(=O)C)NC3=CC=C(C=C3)C#N)C)C#N

Isomeric SMILES

CC1=CC(=CC(=C1OC2=NC(=NC=C2NC(=O)C)NC3=CC=C(C=C3)C#N)C)C#N

InChI

InChI=1S/C22H18N6O2/c1-13-8-17(11-24)9-14(2)20(13)30-21-19(26-15(3)29)12-25-22(28-21)27-18-6-4-16(10-23)5-7-18/h4-9,12H,1-3H3,(H,26,29)(H,25,27,28)