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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4,N4-bis(phenylmethyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4,N4-dibenzyl-pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4,N4-bis(phenylmethyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N,4-N-dibenzylpyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(piperonylamino)pyrimidin-4-yl]-dibenzyl-amine Formula: C26H25N5O2 MolecularWeight: 439.509

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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)CC5=CC=CC=C5)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)N(CC4=CC=CC=C4)CC5=CC=CC=C5)N

InChI

InChI=1S/C26H25N5O2/c27-24-25(28-14-21-11-12-22-23(13-21)33-18-32-22)29-17-30-26(24)31(15-19-7-3-1-4-8-19)16-20-9-5-2-6-10-20/h1-13,17H,14-16,18,27H2,(H,28,29,30)