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

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

CCN(CC)C1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)OCC(C)C

Isomeric SMILES

CCN(CC)C1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)OCC(C)C

InChI

InChI=1S/C19H25N5O4/c1-5-23(6-2)18-16(24(26)27)17(20-12-21-18)22-15-9-7-14(8-10-15)19(25)28-11-13(3)4/h7-10,12-13H,5-6,11H2,1-4H3,(H,20,21,22)