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

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

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)OCC(C)C

Isomeric SMILES

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)OCC(C)C

InChI

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