ethyl 4-[[2,6-bis(azanyl)-5-nitroso-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 4-[[2,6-bis(azanyl)-5-nitroso-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[(2,6-diamino-5-nitroso-pyrimidin-4-yl)amino]benzoate CAS Name: 4-[(2,6-diamino-5-nitroso-4-pyrimidinyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2,6-diamino-5-nitrosopyrimidin-4-yl)amino]benzoate Traditional Name: 4-[(2,6-diamino-5-nitroso-pyrimidin-4-yl)amino]benzoic acid ethyl ester Formula: C13H14N6O3 MolecularWeight: 302.28866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=C2N=O)N)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=C2N=O)N)N

InChI

InChI=1S/C13H14N6O3/c1-2-22-12(20)7-3-5-8(6-4-7)16-11-9(19-21)10(14)17-13(15)18-11/h3-6H,2H2,1H3,(H5,14,15,16,17,18)