methyl 3-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pteridin-6-yl]benzoate

Systemtic Name: methyl 3-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pteridin-6-yl]benzoate Openeye Name: methyl 3-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pteridin-6-yl]benzoate CAS Name: 3-[4-ethoxy-2-[(4-fluorophenyl)methylamino]-6-pteridinyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pteridin-6-yl]benzoate Traditional Name: 3-[4-ethoxy-2-[(4-fluorobenzyl)amino]pteridin-6-yl]benzoic acid methyl ester Formula: C23H20FN5O3 MolecularWeight: 433.435003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20FN5O3/c1-3-32-21-19-20(28-23(29-21)26-12-14-7-9-17(24)10-8-14)25-13-18(27-19)15-5-4-6-16(11-15)22(30)31-2/h4-11,13H,3,12H2,1-2H3,(H,25,26,28,29)