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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-naphthalen-1-yl-pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(1-naphthyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(1-naphthalenyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(1-naphthylamino)pyrimidin-4-yl]-piperonyl-amine Formula: C22H19N5O2 MolecularWeight: 385.41856

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3N)NC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3N)NC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C22H19N5O2/c23-20-21(24-11-14-8-9-18-19(10-14)29-13-28-18)25-12-26-22(20)27-17-7-3-5-15-4-1-2-6-16(15)17/h1-10,12H,11,13,23H2,(H2,24,25,26,27)