[4-[[(E)-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)iminomethyl]amino]phenyl] 5-bromanylfuran-2-carboxylate

Systemtic Name: [4-[[(E)-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)iminomethyl]amino]phenyl] 5-bromanylfuran-2-carboxylate Openeye Name: [4-[[(E)-(6-methyl-4-oxo-1H-pyrimidin-2-yl)iminomethyl]amino]phenyl] 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic acid [4-[[(E)-(6-methyl-4-oxo-1H-pyrimidin-2-yl)iminomethyl]amino]phenyl] ester IUPAC Name: [4-[[(E)-(6-methyl-4-oxo-1H-pyrimidin-2-yl)iminomethyl]amino]phenyl] 5-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid [4-[[(E)-(4-keto-6-methyl-1H-pyrimidin-2-yl)iminomethyl]amino]phenyl] ester Formula: C17H13BrN4O4 MolecularWeight: 417.21352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)N=CNC2=CC=C(C=C2)OC(=O)C3=CC=C(O3)Br

Isomeric SMILES

CC1=CC(=O)N=C(N1)/N=C/NC2=CC=C(C=C2)OC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C17H13BrN4O4/c1-10-8-15(23)22-17(21-10)20-9-19-11-2-4-12(5-3-11)25-16(24)13-6-7-14(18)26-13/h2-9H,1H3,(H2,19,20,21,22,23)