5-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]-6-methyl-2-[(1S)-1-phenylethyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 5-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]-6-methyl-2-[(1S)-1-phenylethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 5-[2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl]-6-methyl-2-[(1S)-1-phenylethyl]sulfanyl-pyrimidin-4-olate CAS Name: 5-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-methyl-2-[[(1S)-1-phenylethyl]thio]-4-pyrimidinolate IUPAC Name: 5-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-methyl-2-[(1S)-1-phenylethyl]sulfanylpyrimidin-4-olate Traditional Name: 5-[2-[(4-fluorobenzyl)amino]-2-keto-ethyl]-6-methyl-2-[[(1S)-1-phenylethyl]thio]pyrimidin-4-olate Formula: C22H21FN3O2S- MolecularWeight: 410.484443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC(C)C2=CC=CC=C2)[O-])CC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=NC(=N1)S[C@@H](C)C2=CC=CC=C2)[O-])CC(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C22H22FN3O2S/c1-14-19(12-20(27)24-13-16-8-10-18(23)11-9-16)21(28)26-22(25-14)29-15(2)17-6-4-3-5-7-17/h3-11,15H,12-13H2,1-2H3,(H,24,27)(H,25,26,28)/p-1/t15-/m0/s1