2-[[4-azanyl-6-[(4-methylphenyl)amino]-5-nitro-pyrimidin-2-yl]amino]ethanoic acid

Systemtic Name: 2-[[4-azanyl-6-[(4-methylphenyl)amino]-5-nitro-pyrimidin-2-yl]amino]ethanoic acid Openeye Name: 2-[[4-amino-6-(4-methylanilino)-5-nitro-pyrimidin-2-yl]amino]acetic acid CAS Name: 2-[[4-amino-6-(4-methylanilino)-5-nitro-2-pyrimidinyl]amino]acetic acid IUPAC Name: 2-[[4-amino-6-(4-methylanilino)-5-nitropyrimidin-2-yl]amino]acetic acid Traditional Name: 2-[[4-amino-5-nitro-6-(p-toluidino)pyrimidin-2-yl]amino]acetic acid Formula: C13H14N6O4 MolecularWeight: 318.28806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N6O4/c1-7-2-4-8(5-3-7)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)