N6-(1,3-benzodioxol-5-ylmethyl)-N4-(3-chloranyl-4-fluoranyl-phenyl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(3-chloranyl-4-fluoranyl-phenyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(3-chloro-4-fluoro-phenyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(3-chloro-4-fluorophenyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(3-chloro-4-fluorophenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(3-chloro-4-fluoro-anilino)pyrimidin-4-yl]-piperonyl-amine Formula: C18H15ClFN5O2 MolecularWeight: 387.795403

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClFN5O2/c19-12-6-11(2-3-13(12)20)25-18-16(21)17(23-8-24-18)22-7-10-1-4-14-15(5-10)27-9-26-14/h1-6,8H,7,9,21H2,(H2,22,23,24,25)