2-[[4-azanyl-6-[(3-methylphenyl)amino]-5-nitro-pyrimidin-2-yl]amino]ethanoate

Systemtic Name: 2-[[4-azanyl-6-[(3-methylphenyl)amino]-5-nitro-pyrimidin-2-yl]amino]ethanoate Openeye Name: 2-[[4-amino-6-(3-methylanilino)-5-nitro-pyrimidin-2-yl]amino]acetate CAS Name: 2-[[4-amino-6-(3-methylanilino)-5-nitro-2-pyrimidinyl]amino]acetate IUPAC Name: 2-[[4-amino-6-(3-methylanilino)-5-nitropyrimidin-2-yl]amino]acetate Traditional Name: 2-[[4-amino-6-(m-toluidino)-5-nitro-pyrimidin-2-yl]amino]acetate Formula: C13H13N6O4- MolecularWeight: 317.28012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC(=O)[O-]

InChI

InChI=1S/C13H14N6O4/c1-7-3-2-4-8(5-7)16-12-10(19(22)23)11(14)17-13(18-12)15-6-9(20)21/h2-5H,6H2,1H3,(H,20,21)(H4,14,15,16,17,18)/p-1