N6-(1,3-benzodioxol-5-ylmethyl)-N4-(4-fluorophenyl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(4-fluorophenyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(4-fluorophenyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(4-fluorophenyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-fluoroanilino)pyrimidin-4-yl]-piperonyl-amine Formula: C18H16FN5O2 MolecularWeight: 353.350343

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3N)NC4=CC=C(C=C4)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3N)NC4=CC=C(C=C4)F

InChI

InChI=1S/C18H16FN5O2/c19-12-2-4-13(5-3-12)24-18-16(20)17(22-9-23-18)21-8-11-1-6-14-15(7-11)26-10-25-14/h1-7,9H,8,10,20H2,(H2,21,22,23,24)