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

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-N6-[(4-fluorophenyl)methyl]pyrimidine-4,5,6-triamine Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-N6-[(4-fluorophenyl)methyl]pyrimidine-4,5,6-triamine CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-N6-[(4-fluorophenyl)methyl]pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-[(4-fluorobenzyl)amino]pyrimidin-4-yl]-piperonyl-amine Formula: C19H18FN5O2 MolecularWeight: 367.376923

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3N)NCC4=CC=C(C=C4)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3N)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C19H18FN5O2/c20-14-4-1-12(2-5-14)8-22-18-17(21)19(25-10-24-18)23-9-13-3-6-15-16(7-13)27-11-26-15/h1-7,10H,8-9,11,21H2,(H2,22,23,24,25)