N6-(1,3-benzodioxol-5-ylmethyl)-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,5,6-triamine

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-benzyl-N4-(2-pyridyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-benzyl-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(piperonylamino)pyrimidin-4-yl]-benzyl-(2-pyridyl)amine Formula: C24H22N6O2 MolecularWeight: 426.47048

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)N(CC4=CC=CC=C4)C5=CC=CC=N5)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)N(CC4=CC=CC=C4)C5=CC=CC=N5)N

InChI

InChI=1S/C24H22N6O2/c25-22-23(27-13-18-9-10-19-20(12-18)32-16-31-19)28-15-29-24(22)30(21-8-4-5-11-26-21)14-17-6-2-1-3-7-17/h1-12,15H,13-14,16,25H2,(H,27,28,29)