2-[(2-fluorophenyl)methylsulfanyl]-6-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]pyrimidin-4-olate

Systemtic Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]pyrimidin-4-olate Openeye Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-[2-oxo-2-(3-phenylpropylamino)ethyl]pyrimidin-4-olate CAS Name: 2-[(2-fluorophenyl)methylthio]-6-[2-oxo-2-(3-phenylpropylamino)ethyl]-4-pyrimidinolate IUPAC Name: 2-[(2-fluorophenyl)methylsulfanyl]-6-[2-oxo-2-(3-phenylpropylamino)ethyl]pyrimidin-4-olate Traditional Name: 2-[(2-fluorobenzyl)thio]-6-[2-keto-2-(3-phenylpropylamino)ethyl]pyrimidin-4-olate Formula: C22H21FN3O2S- MolecularWeight: 410.484443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3F)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3F)[O-]

InChI

InChI=1S/C22H22FN3O2S/c23-19-11-5-4-10-17(19)15-29-22-25-18(14-21(28)26-22)13-20(27)24-12-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-11,14H,6,9,12-13,15H2,(H,24,27)(H,25,26,28)/p-1