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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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