ethyl 2-[(2-azanyl-1-methyl-5-nitro-6-oxidanylidene-pyrimidin-4-yl)amino]ethanoate

Systemtic Name: ethyl 2-[(2-azanyl-1-methyl-5-nitro-6-oxidanylidene-pyrimidin-4-yl)amino]ethanoate Openeye Name: ethyl 2-[(2-amino-1-methyl-5-nitro-6-oxo-pyrimidin-4-yl)amino]acetate CAS Name: 2-[(2-amino-1-methyl-5-nitro-6-oxo-4-pyrimidinyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2-amino-1-methyl-5-nitro-6-oxopyrimidin-4-yl)amino]acetate Traditional Name: 2-[(2-amino-6-keto-1-methyl-5-nitro-pyrimidin-4-yl)amino]acetic acid ethyl ester Formula: C9H13N5O5 MolecularWeight: 271.23002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC1=C(C(=O)N(C(=N1)N)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CNC1=C(C(=O)N(C(=N1)N)C)[N+](=O)[O-]

InChI

InChI=1S/C9H13N5O5/c1-3-19-5(15)4-11-7-6(14(17)18)8(16)13(2)9(10)12-7/h11H,3-4H2,1-2H3,(H2,10,12)