4-[(2-azanyl-6-methyl-5-nitro-pyrimidin-4-yl)amino]benzoate

Systemtic Name: 4-[(2-azanyl-6-methyl-5-nitro-pyrimidin-4-yl)amino]benzoate Openeye Name: 4-[(2-amino-6-methyl-5-nitro-pyrimidin-4-yl)amino]benzoate CAS Name: 4-[(2-amino-6-methyl-5-nitro-4-pyrimidinyl)amino]benzoate IUPAC Name: 4-[(2-amino-6-methyl-5-nitropyrimidin-4-yl)amino]benzoate Traditional Name: 4-[(2-amino-6-methyl-5-nitro-pyrimidin-4-yl)amino]benzoate Formula: C12H10N5O4- MolecularWeight: 288.2389

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N)NC2=CC=C(C=C2)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)N)NC2=CC=C(C=C2)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H11N5O4/c1-6-9(17(20)21)10(16-12(13)14-6)15-8-4-2-7(3-5-8)11(18)19/h2-5H,1H3,(H,18,19)(H3,13,14,15,16)/p-1