5-(1,3-benzodioxol-5-yl)-6-ethyl-pyrimidine-2,4-diamine

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-6-ethyl-pyrimidine-2,4-diamine Openeye Name: 5-(1,3-benzodioxol-5-yl)-6-ethyl-pyrimidine-2,4-diamine CAS Name: 5-(1,3-benzodioxol-5-yl)-6-ethylpyrimidine-2,4-diamine IUPAC Name: 5-(1,3-benzodioxol-5-yl)-6-ethylpyrimidine-2,4-diamine Traditional Name: [2-amino-5-(1,3-benzodioxol-5-yl)-6-ethyl-pyrimidin-4-yl]amine Formula: C13H14N4O2 MolecularWeight: 258.27586

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H14N4O2/c1-2-8-11(12(14)17-13(15)16-8)7-3-4-9-10(5-7)19-6-18-9/h3-5H,2,6H2,1H3,(H4,14,15,16,17)