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

Systemtic Name: N-[4-(4-cyano-2,6-dimethyl-phenoxy)-2-[(4-ethynylphenyl)amino]pyrimidin-5-yl]ethanamide Openeye Name: N-[4-(4-cyano-2,6-dimethyl-phenoxy)-2-(4-ethynylanilino)pyrimidin-5-yl]acetamide CAS Name: N-[4-(4-cyano-2,6-dimethylphenoxy)-2-(4-ethynylanilino)-5-pyrimidinyl]acetamide IUPAC Name: N-[4-(4-cyano-2,6-dimethylphenoxy)-2-(4-ethynylanilino)pyrimidin-5-yl]acetamide Traditional Name: N-[4-(4-cyano-2,6-dimethyl-phenoxy)-2-(4-ethynylanilino)pyrimidin-5-yl]acetamide Formula: C23H19N5O2 MolecularWeight: 397.42926

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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#C)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C23H19N5O2/c1-5-17-6-8-19(9-7-17)27-23-25-13-20(26-16(4)29)22(28-23)30-21-14(2)10-18(12-24)11-15(21)3/h1,6-11,13H,2-4H3,(H,26,29)(H,25,27,28)