2-methylpropyl 4-[[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: 2-methylpropyl 4-[[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(3-methoxypropylamino)-5-nitro-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[6-(3-methoxypropylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C19H25N5O5 MolecularWeight: 403.4323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O5/c1-13(2)11-29-19(25)14-5-7-15(8-6-14)23-18-16(24(26)27)17(21-12-22-18)20-9-4-10-28-3/h5-8,12-13H,4,9-11H2,1-3H3,(H2,20,21,22,23)