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

Systemtic Name: 2-methylpropyl 4-[[6-(ethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[6-(ethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(ethylamino)-5-nitro-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[6-(ethylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(ethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)OCC(C)C

Isomeric SMILES

CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)OCC(C)C

InChI

InChI=1S/C17H21N5O4/c1-4-18-15-14(22(24)25)16(20-10-19-15)21-13-7-5-12(6-8-13)17(23)26-9-11(2)3/h5-8,10-11H,4,9H2,1-3H3,(H2,18,19,20,21)