2-[[5-azanyl-6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-ethyl-amino]ethanol

Systemtic Name: 2-[[5-azanyl-6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-ethyl-amino]ethanol Openeye Name: 2-[[5-amino-6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-ethyl-amino]ethanol CAS Name: 2-[[5-amino-6-(1,3-benzodioxol-5-ylmethylamino)-4-pyrimidinyl]-ethylamino]ethanol IUPAC Name: 2-[[5-amino-6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-ethylamino]ethanol Traditional Name: 2-[[5-amino-6-(piperonylamino)pyrimidin-4-yl]-ethyl-amino]ethanol Formula: C16H21N5O3 MolecularWeight: 331.36964

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCO)C1=NC=NC(=C1N)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCN(CCO)C1=NC=NC(=C1N)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H21N5O3/c1-2-21(5-6-22)16-14(17)15(19-9-20-16)18-8-11-3-4-12-13(7-11)24-10-23-12/h3-4,7,9,22H,2,5-6,8,10,17H2,1H3,(H,18,19,20)