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

Systemtic Name: 2-[[4-azanyl-6-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-2-yl]amino]ethanoate Openeye Name: 2-[[4-amino-6-(4-chloroanilino)-5-nitro-pyrimidin-2-yl]amino]acetate CAS Name: 2-[[4-amino-6-(4-chloroanilino)-5-nitro-2-pyrimidinyl]amino]acetate IUPAC Name: 2-[[4-amino-6-(4-chloroanilino)-5-nitropyrimidin-2-yl]amino]acetate Traditional Name: 2-[[4-amino-6-(4-chloroanilino)-5-nitro-pyrimidin-2-yl]amino]acetate Formula: C12H10ClN6O4- MolecularWeight: 337.6986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC(=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC(=O)[O-])Cl

InChI

InChI=1S/C12H11ClN6O4/c13-6-1-3-7(4-2-6)16-11-9(19(22)23)10(14)17-12(18-11)15-5-8(20)21/h1-4H,5H2,(H,20,21)(H4,14,15,16,17,18)/p-1