methyl 4-[[4,6-bis[(4-ethanoylphenyl)amino]pyrimidin-2-yl]amino]benzoate

Systemtic Name: methyl 4-[[4,6-bis[(4-ethanoylphenyl)amino]pyrimidin-2-yl]amino]benzoate Openeye Name: methyl 4-[[4,6-bis(4-acetylanilino)pyrimidin-2-yl]amino]benzoate CAS Name: 4-[[4,6-bis(4-acetylanilino)-2-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4,6-bis(4-acetylanilino)pyrimidin-2-yl]amino]benzoate Traditional Name: 4-[[4,6-bis(4-acetylanilino)pyrimidin-2-yl]amino]benzoic acid methyl ester Formula: C28H25N5O4 MolecularWeight: 495.5292

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC2=CC(=NC(=N2)NC3=CC=C(C=C3)C(=O)OC)NC4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC2=CC(=NC(=N2)NC3=CC=C(C=C3)C(=O)OC)NC4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C28H25N5O4/c1-17(34)19-4-10-22(11-5-19)29-25-16-26(30-23-12-6-20(7-13-23)18(2)35)33-28(32-25)31-24-14-8-21(9-15-24)27(36)37-3/h4-16H,1-3H3,(H3,29,30,31,32,33)