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

Systemtic Name: 2-[4-[5-azanyl-6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[5-amino-6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[5-amino-6-(1,3-benzodioxol-5-ylmethylamino)-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[5-amino-6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[5-amino-6-(piperonylamino)pyrimidin-4-yl]piperazino]ethanol Formula: C18H24N6O3 MolecularWeight: 372.42156

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)N

Isomeric SMILES

C1CN(CCN1CCO)C2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)N

InChI

InChI=1S/C18H24N6O3/c19-16-17(20-10-13-1-2-14-15(9-13)27-12-26-14)21-11-22-18(16)24-5-3-23(4-6-24)7-8-25/h1-2,9,11,25H,3-8,10,12,19H2,(H,20,21,22)