tert-butyl 2-[2-[(4-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)-4-oxidanylidene-pyrimidin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[2-[(4-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)-4-oxidanylidene-pyrimidin-1-yl]ethanoate Openeye Name: tert-butyl 2-[2-[(4-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)-4-oxo-pyrimidin-1-yl]acetate CAS Name: 2-[2-[(4-fluorophenyl)methylthio]-5-(hydroxymethyl)-4-oxo-1-pyrimidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-[(4-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)-4-oxopyrimidin-1-yl]acetate Traditional Name: 2-[2-[(4-fluorobenzyl)thio]-4-keto-5-methylol-pyrimidin-1-yl]acetic acid tert-butyl ester Formula: C18H21FN2O4S MolecularWeight: 380.433743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C=C(C(=O)N=C1SCC2=CC=C(C=C2)F)CO

Isomeric SMILES

CC(C)(C)OC(=O)CN1C=C(C(=O)N=C1SCC2=CC=C(C=C2)F)CO

InChI

InChI=1S/C18H21FN2O4S/c1-18(2,3)25-15(23)9-21-8-13(10-22)16(24)20-17(21)26-11-12-4-6-14(19)7-5-12/h4-8,22H,9-11H2,1-3H3