ethyl 6-azanyl-2-(furan-2-ylmethylamino)-5-nitro-pyrimidine-4-carboxylate

Systemtic Name: ethyl 6-azanyl-2-(furan-2-ylmethylamino)-5-nitro-pyrimidine-4-carboxylate Openeye Name: ethyl 6-amino-2-(2-furylmethylamino)-5-nitro-pyrimidine-4-carboxylate CAS Name: 6-amino-2-(2-furanylmethylamino)-5-nitro-4-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-2-(furan-2-ylmethylamino)-5-nitropyrimidine-4-carboxylate Traditional Name: 6-amino-2-(2-furfurylamino)-5-nitro-pyrimidine-4-carboxylic acid ethyl ester Formula: C12H13N5O5 MolecularWeight: 307.26212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NC(=N1)NCC2=CC=CO2)N)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C(=NC(=N1)NCC2=CC=CO2)N)[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O5/c1-2-21-11(18)8-9(17(19)20)10(13)16-12(15-8)14-6-7-4-3-5-22-7/h3-5H,2,6H2,1H3,(H3,13,14,15,16)