methyl 4-[5-cyano-2-[[4-(2-imidazol-1-ylethyl)phenyl]amino]pyrimidin-4-yl]benzoate

Systemtic Name: methyl 4-[5-cyano-2-[[4-(2-imidazol-1-ylethyl)phenyl]amino]pyrimidin-4-yl]benzoate Openeye Name: methyl 4-[5-cyano-2-[4-(2-imidazol-1-ylethyl)anilino]pyrimidin-4-yl]benzoate CAS Name: 4-[5-cyano-2-[4-[2-(1-imidazolyl)ethyl]anilino]-4-pyrimidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-cyano-2-[4-(2-imidazol-1-ylethyl)anilino]pyrimidin-4-yl]benzoate Traditional Name: 4-[5-cyano-2-[4-(2-imidazol-1-ylethyl)anilino]pyrimidin-4-yl]benzoic acid methyl ester Formula: C24H20N6O2 MolecularWeight: 424.4546

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=NC(=NC=C2C#N)NC3=CC=C(C=C3)CCN4C=CN=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NC(=NC=C2C#N)NC3=CC=C(C=C3)CCN4C=CN=C4

InChI

InChI=1S/C24H20N6O2/c1-32-23(31)19-6-4-18(5-7-19)22-20(14-25)15-27-24(29-22)28-21-8-2-17(3-9-21)10-12-30-13-11-26-16-30/h2-9,11,13,15-16H,10,12H2,1H3,(H,27,28,29)