tert-butyl 2-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pteridin-6-yl]benzoate

Systemtic Name: tert-butyl 2-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pteridin-6-yl]benzoate Openeye Name: tert-butyl 2-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pteridin-6-yl]benzoate CAS Name: 2-[4-ethoxy-2-[(4-fluorophenyl)methylamino]-6-pteridinyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pteridin-6-yl]benzoate Traditional Name: 2-[4-ethoxy-2-[(4-fluorobenzyl)amino]pteridin-6-yl]benzoic acid tert-butyl ester Formula: C26H26FN5O3 MolecularWeight: 475.514743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC2=NC=C(N=C21)C3=CC=CC=C3C(=O)OC(C)(C)C)NCC4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=NC(=NC2=NC=C(N=C21)C3=CC=CC=C3C(=O)OC(C)(C)C)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C26H26FN5O3/c1-5-34-23-21-22(31-25(32-23)29-14-16-10-12-17(27)13-11-16)28-15-20(30-21)18-8-6-7-9-19(18)24(33)35-26(2,3)4/h6-13,15H,5,14H2,1-4H3,(H,28,29,31,32)