[(5-azanyl-2-methyl-phenyl)-(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl 2,2-dimethylpropanoate

Systemtic Name: [(5-azanyl-2-methyl-phenyl)-(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl 2,2-dimethylpropanoate Openeye Name: (5-amino-2-methyl-N-[4-(3-pyridyl)pyrimidin-2-yl]anilino)methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid (5-amino-2-methyl-N-[4-(3-pyridinyl)-2-pyrimidinyl]anilino)methyl ester IUPAC Name: (5-amino-2-methyl-N-(4-pyridin-3-ylpyrimidin-2-yl)anilino)methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid (5-amino-2-methyl-N-[4-(3-pyridyl)pyrimidin-2-yl]anilino)methyl ester Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N)N(COC(=O)C(C)(C)C)C2=NC=CC(=N2)C3=CN=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)N)N(COC(=O)C(C)(C)C)C2=NC=CC(=N2)C3=CN=CC=C3

InChI

InChI=1S/C22H25N5O2/c1-15-7-8-17(23)12-19(15)27(14-29-20(28)22(2,3)4)21-25-11-9-18(26-21)16-6-5-10-24-13-16/h5-13H,14,23H2,1-4H3