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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-quinolin-5-yl-pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(5-quinolyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(5-quinolinyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(piperonylamino)pyrimidin-4-yl]-(5-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=C4C=CC=N5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3N)NC4=CC=CC5=C4C=CC=N5

InChI

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