1-[3-[[5-azanyl-6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[3-[[5-azanyl-6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[5-amino-6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[5-amino-6-(1,3-benzodioxol-5-ylmethylamino)-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[5-amino-6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[5-amino-6-(piperonylamino)pyrimidin-4-yl]amino]phenyl]ethanone Formula: C20H19N5O3 MolecularWeight: 377.39656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)N

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)N

InChI

InChI=1S/C20H19N5O3/c1-12(26)14-3-2-4-15(8-14)25-20-18(21)19(23-10-24-20)22-9-13-5-6-16-17(7-13)28-11-27-16/h2-8,10H,9,11,21H2,1H3,(H2,22,23,24,25)