ethyl 3-[(6-azanyl-5-nitro-pyrimidin-4-yl)amino]propanoate

Systemtic Name: ethyl 3-[(6-azanyl-5-nitro-pyrimidin-4-yl)amino]propanoate Openeye Name: ethyl 3-[(6-amino-5-nitro-pyrimidin-4-yl)amino]propanoate CAS Name: 3-[(6-amino-5-nitro-4-pyrimidinyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(6-amino-5-nitropyrimidin-4-yl)amino]propanoate Traditional Name: 3-[(6-amino-5-nitro-pyrimidin-4-yl)amino]propionic acid ethyl ester Formula: C9H13N5O4 MolecularWeight: 255.23062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC1=NC=NC(=C1[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)CCNC1=NC=NC(=C1[N+](=O)[O-])N

InChI

InChI=1S/C9H13N5O4/c1-2-18-6(15)3-4-11-9-7(14(16)17)8(10)12-5-13-9/h5H,2-4H2,1H3,(H3,10,11,12,13)