2-methylpropyl 4-[[6-(tert-butylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: 2-methylpropyl 4-[[6-(tert-butylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[6-(tert-butylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(tert-butylamino)-5-nitro-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[6-(tert-butylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(tert-butylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C19H25N5O4 MolecularWeight: 387.4329

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O4/c1-12(2)10-28-18(25)13-6-8-14(9-7-13)22-16-15(24(26)27)17(21-11-20-16)23-19(3,4)5/h6-9,11-12H,10H2,1-5H3,(H2,20,21,22,23)