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

Systemtic Name: 2-[(4-azanyl-5-nitro-6-phenylazanyl-pyrimidin-2-yl)amino]ethanoate Openeye Name: 2-[(4-amino-6-anilino-5-nitro-pyrimidin-2-yl)amino]acetate CAS Name: 2-[(4-amino-6-anilino-5-nitro-2-pyrimidinyl)amino]acetate IUPAC Name: 2-[(4-amino-6-anilino-5-nitropyrimidin-2-yl)amino]acetate Traditional Name: 2-[(4-amino-6-anilino-5-nitro-pyrimidin-2-yl)amino]acetate Formula: C12H11N6O4- MolecularWeight: 303.25354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N6O4/c13-10-9(18(21)22)11(15-7-4-2-1-3-5-7)17-12(16-10)14-6-8(19)20/h1-5H,6H2,(H,19,20)(H4,13,14,15,16,17)/p-1