ethyl 2-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 2-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 2-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[5-nitro-6-(propylamino)-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C16H19N5O4 MolecularWeight: 345.35316

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC=C2C(=O)OCC

Isomeric SMILES

CCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC=C2C(=O)OCC

InChI

InChI=1S/C16H19N5O4/c1-3-9-17-14-13(21(23)24)15(19-10-18-14)20-12-8-6-5-7-11(12)16(22)25-4-2/h5-8,10H,3-4,9H2,1-2H3,(H2,17,18,19,20)