1-[3-[[5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[3-[[5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[5-nitro-6-(tetrahydrofuran-2-ylmethylamino)pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[5-nitro-6-(2-oxolanylmethylamino)-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[5-nitro-6-(tetrahydrofurfurylamino)pyrimidin-4-yl]amino]phenyl]ethanone Formula: C17H19N5O4 MolecularWeight: 357.36386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NCC3CCCO3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NCC3CCCO3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O4/c1-11(23)12-4-2-5-13(8-12)21-17-15(22(24)25)16(19-10-20-17)18-9-14-6-3-7-26-14/h2,4-5,8,10,14H,3,6-7,9H2,1H3,(H2,18,19,20,21)