ethyl 4-[2-[(4-imidazol-1-ylphenyl)amino]pyrimidin-4-yl]benzoate

Systemtic Name: ethyl 4-[2-[(4-imidazol-1-ylphenyl)amino]pyrimidin-4-yl]benzoate Openeye Name: ethyl 4-[2-(4-imidazol-1-ylanilino)pyrimidin-4-yl]benzoate CAS Name: 4-[2-[4-(1-imidazolyl)anilino]-4-pyrimidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-imidazol-1-ylanilino)pyrimidin-4-yl]benzoate Traditional Name: 4-[2-(4-imidazol-1-ylanilino)pyrimidin-4-yl]benzoic acid ethyl ester Formula: C22H19N5O2 MolecularWeight: 385.41856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=NC(=NC=C2)NC3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=NC(=NC=C2)NC3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C22H19N5O2/c1-2-29-21(28)17-5-3-16(4-6-17)20-11-12-24-22(26-20)25-18-7-9-19(10-8-18)27-14-13-23-15-27/h3-15H,2H2,1H3,(H,24,25,26)