N2,N4-bis(1,3-benzodioxol-5-ylmethyl)-5-fluoranyl-pyrimidine-2,4-diamine

Systemtic Name: N2,N4-bis(1,3-benzodioxol-5-ylmethyl)-5-fluoranyl-pyrimidine-2,4-diamine Openeye Name: N2,N4-bis(1,3-benzodioxol-5-ylmethyl)-5-fluoro-pyrimidine-2,4-diamine CAS Name: N2,N4-bis(1,3-benzodioxol-5-ylmethyl)-5-fluoropyrimidine-2,4-diamine IUPAC Name: 2-N,4-N-bis(1,3-benzodioxol-5-ylmethyl)-5-fluoropyrimidine-2,4-diamine Traditional Name: [5-fluoro-2-(piperonylamino)pyrimidin-4-yl]-piperonyl-amine Formula: C20H17FN4O4 MolecularWeight: 396.371783

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC=C3F)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC=C3F)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H17FN4O4/c21-14-9-24-20(23-8-13-2-4-16-18(6-13)29-11-27-16)25-19(14)22-7-12-1-3-15-17(5-12)28-10-26-15/h1-6,9H,7-8,10-11H2,(H2,22,23,24,25)