5-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate

Systemtic Name: 5-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate Openeye Name: 5-[2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 5-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[(3-methoxyphenyl)methylthio]-6-methyl-4-pyrimidinolate IUPAC Name: 5-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 5-[2-[(4-fluorobenzyl)amino]-2-keto-ethyl]-2-(m-anisylthio)-6-methyl-pyrimidin-4-olate Formula: C22H21FN3O3S- MolecularWeight: 426.483843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC(=CC=C2)OC)[O-])CC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC(=CC=C2)OC)[O-])CC(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C22H22FN3O3S/c1-14-19(11-20(27)24-12-15-6-8-17(23)9-7-15)21(28)26-22(25-14)30-13-16-4-3-5-18(10-16)29-2/h3-10H,11-13H2,1-2H3,(H,24,27)(H,25,26,28)/p-1