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

Systemtic Name: 2-[[4-azanyl-6-[(3,4-dimethylphenyl)amino]-5-nitro-pyrimidin-2-yl]amino]ethanoate Openeye Name: 2-[[4-amino-6-(3,4-dimethylanilino)-5-nitro-pyrimidin-2-yl]amino]acetate CAS Name: 2-[[4-amino-6-(3,4-dimethylanilino)-5-nitro-2-pyrimidinyl]amino]acetate IUPAC Name: 2-[[4-amino-6-(3,4-dimethylanilino)-5-nitropyrimidin-2-yl]amino]acetate Traditional Name: 2-[[4-amino-6-(3,4-dimethylanilino)-5-nitro-pyrimidin-2-yl]amino]acetate Formula: C14H15N6O4- MolecularWeight: 331.3067

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N6O4/c1-7-3-4-9(5-8(7)2)17-13-11(20(23)24)12(15)18-14(19-13)16-6-10(21)22/h3-5H,6H2,1-2H3,(H,21,22)(H4,15,16,17,18,19)/p-1