5-(1,3-benzodioxol-5-ylmethyl)pyrimidine-2,4,6-triamine

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethyl)pyrimidine-2,4,6-triamine Openeye Name: 5-(1,3-benzodioxol-5-ylmethyl)pyrimidine-2,4,6-triamine CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)pyrimidine-2,4,6-triamine IUPAC Name: 5-(1,3-benzodioxol-5-ylmethyl)pyrimidine-2,4,6-triamine Traditional Name: (2,6-diamino-5-piperonyl-pyrimidin-4-yl)amine Formula: C12H13N5O2 MolecularWeight: 259.26392

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC3=C(N=C(N=C3N)N)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC3=C(N=C(N=C3N)N)N

InChI

InChI=1S/C12H13N5O2/c13-10-7(11(14)17-12(15)16-10)3-6-1-2-8-9(4-6)19-5-18-8/h1-2,4H,3,5H2,(H6,13,14,15,16,17)