2-[(2-fluorophenyl)methylsulfanyl]-6-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]pyrimidin-4-olate

Systemtic Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]pyrimidin-4-olate Openeye Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-[2-(2-furylmethylamino)-2-oxo-ethyl]pyrimidin-4-olate CAS Name: 2-[(2-fluorophenyl)methylthio]-6-[2-(2-furanylmethylamino)-2-oxoethyl]-4-pyrimidinolate IUPAC Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-[2-(furan-2-ylmethylamino)-2-oxoethyl]pyrimidin-4-olate Traditional Name: 2-[(2-fluorobenzyl)thio]-6-[2-(2-furfurylamino)-2-keto-ethyl]pyrimidin-4-olate Formula: C18H15FN3O3S- MolecularWeight: 372.393403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC(=CC(=N2)[O-])CC(=O)NCC3=CC=CO3)F

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC(=CC(=N2)[O-])CC(=O)NCC3=CC=CO3)F

InChI

InChI=1S/C18H16FN3O3S/c19-15-6-2-1-4-12(15)11-26-18-21-13(9-17(24)22-18)8-16(23)20-10-14-5-3-7-25-14/h1-7,9H,8,10-11H2,(H,20,23)(H,21,22,24)/p-1