tert-butyl 3-[5-azanyl-2-(5-cyano-2-ethoxy-phenoxy)-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxybenzoate

Systemtic Name: tert-butyl 3-[5-azanyl-2-(5-cyano-2-ethoxy-phenoxy)-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxybenzoate Openeye Name: tert-butyl 3-[5-amino-6-(benzylamino)-2-(5-cyano-2-ethoxy-phenoxy)pyrimidin-4-yl]oxybenzoate CAS Name: 3-[[5-amino-2-(5-cyano-2-ethoxyphenoxy)-6-[(phenylmethyl)amino]-4-pyrimidinyl]oxy]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[5-amino-6-(benzylamino)-2-(5-cyano-2-ethoxyphenoxy)pyrimidin-4-yl]oxybenzoate Traditional Name: 3-[5-amino-6-(benzylamino)-2-(5-cyano-2-ethoxy-phenoxy)pyrimidin-4-yl]oxybenzoic acid tert-butyl ester Formula: C31H31N5O5 MolecularWeight: 553.60834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C#N)OC2=NC(=C(C(=N2)OC3=CC=CC(=C3)C(=O)OC(C)(C)C)N)NCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=C(C=C1)C#N)OC2=NC(=C(C(=N2)OC3=CC=CC(=C3)C(=O)OC(C)(C)C)N)NCC4=CC=CC=C4

InChI

InChI=1S/C31H31N5O5/c1-5-38-24-15-14-21(18-32)16-25(24)40-30-35-27(34-19-20-10-7-6-8-11-20)26(33)28(36-30)39-23-13-9-12-22(17-23)29(37)41-31(2,3)4/h6-17H,5,19,33H2,1-4H3,(H,34,35,36)