N2-(1,3-benzodioxol-5-ylmethyl)-N4-(4-fluorophenyl)pteridine-2,4-diamine

Systemtic Name: N2-(1,3-benzodioxol-5-ylmethyl)-N4-(4-fluorophenyl)pteridine-2,4-diamine Openeye Name: N2-(1,3-benzodioxol-5-ylmethyl)-N4-(4-fluorophenyl)pteridine-2,4-diamine CAS Name: N2-(1,3-benzodioxol-5-ylmethyl)-N4-(4-fluorophenyl)pteridine-2,4-diamine IUPAC Name: 2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(4-fluorophenyl)pteridine-2,4-diamine Traditional Name: [4-(4-fluoroanilino)pteridin-2-yl]-piperonyl-amine Formula: C20H15FN6O2 MolecularWeight: 390.370503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC4=NC=CN=C4C(=N3)NC5=CC=C(C=C5)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC4=NC=CN=C4C(=N3)NC5=CC=C(C=C5)F

InChI

InChI=1S/C20H15FN6O2/c21-13-2-4-14(5-3-13)25-19-17-18(23-8-7-22-17)26-20(27-19)24-10-12-1-6-15-16(9-12)29-11-28-15/h1-9H,10-11H2,(H2,23,24,25,26,27)