6-(1,3-benzodioxol-5-yl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pteridin-2-amine

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pteridin-2-amine Openeye Name: 6-(1,3-benzodioxol-5-yl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pteridin-2-amine CAS Name: 6-(1,3-benzodioxol-5-yl)-4-ethoxy-N-[(4-fluorophenyl)methyl]-2-pteridinamine IUPAC Name: 6-(1,3-benzodioxol-5-yl)-4-ethoxy-N-[(4-fluorophenyl)methyl]pteridin-2-amine Traditional Name: [6-(1,3-benzodioxol-5-yl)-4-ethoxy-pteridin-2-yl]-(4-fluorobenzyl)amine Formula: C22H18FN5O3 MolecularWeight: 419.408423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC2=NC=C(N=C21)C3=CC4=C(C=C3)OCO4)NCC5=CC=C(C=C5)F

Isomeric SMILES

CCOC1=NC(=NC2=NC=C(N=C21)C3=CC4=C(C=C3)OCO4)NCC5=CC=C(C=C5)F

InChI

InChI=1S/C22H18FN5O3/c1-2-29-21-19-20(27-22(28-21)25-10-13-3-6-15(23)7-4-13)24-11-16(26-19)14-5-8-17-18(9-14)31-12-30-17/h3-9,11H,2,10,12H2,1H3,(H,24,25,27,28)