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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-pyridin-3-yl-pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(3-pyridyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(3-pyridinyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(piperonylamino)pyrimidin-4-yl]-(3-pyridyl)amine Formula: C17H16N6O2 MolecularWeight: 336.34794

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3N)NC4=CN=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3N)NC4=CN=CC=C4

InChI

InChI=1S/C17H16N6O2/c18-15-16(20-7-11-3-4-13-14(6-11)25-10-24-13)21-9-22-17(15)23-12-2-1-5-19-8-12/h1-6,8-9H,7,10,18H2,(H2,20,21,22,23)