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

Systemtic Name: 2-[[4-azanyl-6-[(4-ethoxyphenyl)amino]-5-nitro-pyrimidin-2-yl]amino]ethanoic acid Openeye Name: 2-[[4-amino-6-(4-ethoxyanilino)-5-nitro-pyrimidin-2-yl]amino]acetic acid CAS Name: 2-[[4-amino-6-(4-ethoxyanilino)-5-nitro-2-pyrimidinyl]amino]acetic acid IUPAC Name: 2-[[4-amino-6-(4-ethoxyanilino)-5-nitropyrimidin-2-yl]amino]acetic acid Traditional Name: 2-[[4-amino-5-nitro-6-(p-phenetidino)pyrimidin-2-yl]amino]acetic acid Formula: C14H16N6O5 MolecularWeight: 348.31404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC(=O)O

InChI

InChI=1S/C14H16N6O5/c1-2-25-9-5-3-8(4-6-9)17-13-11(20(23)24)12(15)18-14(19-13)16-7-10(21)22/h3-6H,2,7H2,1H3,(H,21,22)(H4,15,16,17,18,19)