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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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