[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 3-(pyrimidin-2-ylamino)benzoate

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 3-(pyrimidin-2-ylamino)benzoate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 3-(pyrimidin-2-ylamino)benzoate CAS Name: 3-(2-pyrimidinylamino)benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(pyrimidin-2-ylamino)benzoate Traditional Name: 3-(2-pyrimidylamino)benzoic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C18H16N4O4 MolecularWeight: 352.34404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC=CC=N2)C(=O)OCC(=O)NCC3=CC=CO3

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC=CC=N2)C(=O)OCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C18H16N4O4/c23-16(21-11-15-6-2-9-25-15)12-26-17(24)13-4-1-5-14(10-13)22-18-19-7-3-8-20-18/h1-10H,11-12H2,(H,21,23)(H,19,20,22)