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

Systemtic Name: propan-2-yl 3-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pteridin-6-yl]benzoate Openeye Name: isopropyl 3-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pteridin-6-yl]benzoate CAS Name: 3-[4-ethoxy-2-[(4-fluorophenyl)methylamino]-6-pteridinyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C25H24FN5O3 MolecularWeight: 461.488163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24FN5O3/c1-4-33-23-21-22(30-25(31-23)28-13-16-8-10-19(26)11-9-16)27-14-20(29-21)17-6-5-7-18(12-17)24(32)34-15(2)3/h5-12,14-15H,4,13H2,1-3H3,(H,27,28,30,31)