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

Systemtic Name: 2-methylpropyl 4-[[5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C20H25N5O5 MolecularWeight: 415.443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O5/c1-13(2)11-30-20(26)14-5-7-15(8-6-14)24-19-17(25(27)28)18(22-12-23-19)21-10-16-4-3-9-29-16/h5-8,12-13,16H,3-4,9-11H2,1-2H3,(H2,21,22,23,24)