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

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)pyrimidine-4,5,6-triamine CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)pyrimidine-4,5,6-triamine Traditional Name: (5,6-diaminopyrimidin-4-yl)-piperonyl-amine Formula: C12H13N5O2 MolecularWeight: 259.26392

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3N)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3N)N

InChI

InChI=1S/C12H13N5O2/c13-10-11(14)16-5-17-12(10)15-4-7-1-2-8-9(3-7)19-6-18-8/h1-3,5H,4,6,13H2,(H3,14,15,16,17)