ethyl 4-[[2-[(4-cyanophenyl)amino]pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 4-[[2-[(4-cyanophenyl)amino]pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[2-(4-cyanoanilino)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[2-(4-cyanoanilino)-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-cyanoanilino)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[2-(4-cyanoanilino)pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C20H17N5O2 MolecularWeight: 359.38128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H17N5O2/c1-2-27-19(26)15-5-9-16(10-6-15)23-18-11-12-22-20(25-18)24-17-7-3-14(13-21)4-8-17/h3-12H,2H2,1H3,(H2,22,23,24,25)