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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(5-bromanylpyridin-2-yl)pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(5-bromo-2-pyridyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(5-bromo-2-pyridinyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(5-bromopyridin-2-yl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-[(5-bromo-2-pyridyl)amino]pyrimidin-4-yl]-piperonyl-amine Formula: C17H15BrN6O2 MolecularWeight: 415.244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN6O2/c18-11-2-4-14(20-7-11)24-17-15(19)16(22-8-23-17)21-6-10-1-3-12-13(5-10)26-9-25-12/h1-5,7-8H,6,9,19H2,(H2,20,21,22,23,24)