N-[4-[[5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]phenyl]ethanamide

Systemtic Name: N-[4-[[5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[5-nitro-6-(tetrahydrofuran-2-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide CAS Name: N-[4-[[5-nitro-6-(2-oxolanylmethylamino)-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[5-nitro-6-(tetrahydrofurfurylamino)pyrimidin-4-yl]amino]phenyl]acetamide Formula: C17H20N6O4 MolecularWeight: 372.3785

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3CCCO3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3CCCO3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N6O4/c1-11(24)21-12-4-6-13(7-5-12)22-17-15(23(25)26)16(19-10-20-17)18-9-14-3-2-8-27-14/h4-7,10,14H,2-3,8-9H2,1H3,(H,21,24)(H2,18,19,20,22)