N6-(1,3-benzodioxol-5-ylmethyl)-N4-quinolin-8-yl-pyrimidine-4,5,6-triamine

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-quinolin-8-yl-pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(8-quinolyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(8-quinolinyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(piperonylamino)pyrimidin-4-yl]-(8-quinolyl)amine Formula: C21H18N6O2 MolecularWeight: 386.40662

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3N)NC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3N)NC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C21H18N6O2/c22-18-20(24-10-13-6-7-16-17(9-13)29-12-28-16)25-11-26-21(18)27-15-5-1-3-14-4-2-8-23-19(14)15/h1-9,11H,10,12,22H2,(H2,24,25,26,27)