ethyl 4-[[5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 4-[[5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[5-nitro-6-(tetrahydrofuran-2-ylmethylamino)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-nitro-6-(2-oxolanylmethylamino)-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-nitro-6-(tetrahydrofurfurylamino)pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C18H21N5O5 MolecularWeight: 387.38984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O5/c1-2-27-18(24)12-5-7-13(8-6-12)22-17-15(23(25)26)16(20-11-21-17)19-10-14-4-3-9-28-14/h5-8,11,14H,2-4,9-10H2,1H3,(H2,19,20,21,22)