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

Systemtic Name: methyl 2-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pteridin-6-yl]-4-fluoranyl-benzoate Openeye Name: methyl 2-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pteridin-6-yl]-4-fluoro-benzoate CAS Name: 2-[4-ethoxy-2-[(4-fluorophenyl)methylamino]-6-pteridinyl]-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 2-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pteridin-6-yl]-4-fluorobenzoate Traditional Name: 2-[4-ethoxy-2-[(4-fluorobenzyl)amino]pteridin-6-yl]-4-fluoro-benzoic acid methyl ester Formula: C23H19F2N5O3 MolecularWeight: 451.425466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19F2N5O3/c1-3-33-21-19-20(29-23(30-21)27-11-13-4-6-14(24)7-5-13)26-12-18(28-19)17-10-15(25)8-9-16(17)22(31)32-2/h4-10,12H,3,11H2,1-2H3,(H,26,27,29,30)