ethyl 3-[[6-(furan-2-ylmethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 3-[[6-(furan-2-ylmethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[6-(2-furylmethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[6-(2-furanylmethylamino)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[6-(2-furfurylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C18H17N5O5 MolecularWeight: 383.35808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NCC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NCC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O5/c1-2-27-18(24)12-5-3-6-13(9-12)22-17-15(23(25)26)16(20-11-21-17)19-10-14-7-4-8-28-14/h3-9,11H,2,10H2,1H3,(H2,19,20,21,22)