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

Systemtic Name: ethyl 2-[[6-azanyl-2-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-5-nitro-pyrimidin-4-yl]amino]ethanoate Openeye Name: ethyl 2-[[6-amino-2-[(2-ethoxy-2-oxo-ethyl)amino]-5-nitro-pyrimidin-4-yl]amino]acetate CAS Name: 2-[[6-amino-2-[(2-ethoxy-2-oxoethyl)amino]-5-nitro-4-pyrimidinyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[6-amino-2-[(2-ethoxy-2-oxoethyl)amino]-5-nitropyrimidin-4-yl]amino]acetate Traditional Name: 2-[[6-amino-2-[(2-ethoxy-2-keto-ethyl)amino]-5-nitro-pyrimidin-4-yl]amino]acetic acid ethyl ester Formula: C12H18N6O6 MolecularWeight: 342.30792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC1=NC(=NC(=C1[N+](=O)[O-])N)NCC(=O)OCC

Isomeric SMILES

CCOC(=O)CNC1=NC(=NC(=C1[N+](=O)[O-])N)NCC(=O)OCC

InChI

InChI=1S/C12H18N6O6/c1-3-23-7(19)5-14-11-9(18(21)22)10(13)16-12(17-11)15-6-8(20)24-4-2/h3-6H2,1-2H3,(H4,13,14,15,16,17)