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

Systemtic Name: 2-[(6-azanyl-5-nitro-pyrimidin-4-yl)amino]butanedioic acid Openeye Name: 2-[(6-amino-5-nitro-pyrimidin-4-yl)amino]butanedioic acid CAS Name: 2-[(6-amino-5-nitro-4-pyrimidinyl)amino]butanedioic acid IUPAC Name: 2-[(6-amino-5-nitropyrimidin-4-yl)amino]butanedioic acid Traditional Name: 2-[(6-amino-5-nitro-pyrimidin-4-yl)amino]succinic acid Formula: C8H9N5O6 MolecularWeight: 271.18696

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=C(C(=N1)NC(CC(=O)O)C(=O)O)[N+](=O)[O-])N

Isomeric SMILES

C1=NC(=C(C(=N1)NC(CC(=O)O)C(=O)O)[N+](=O)[O-])N

InChI

InChI=1S/C8H9N5O6/c9-6-5(13(18)19)7(11-2-10-6)12-3(8(16)17)1-4(14)15/h2-3H,1H2,(H,14,15)(H,16,17)(H3,9,10,11,12)