5-[5-[(4-fluorophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanylpentanoic acid

Systemtic Name: 5-[5-[(4-fluorophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanylpentanoic acid Openeye Name: 5-[5-[(4-fluorophenyl)methyl]-1,4-dimethyl-6-oxo-pyrimidin-2-yl]sulfanylpentanoic acid CAS Name: 5-[[5-[(4-fluorophenyl)methyl]-1,4-dimethyl-6-oxo-2-pyrimidinyl]thio]pentanoic acid IUPAC Name: 5-[5-[(4-fluorophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanylpentanoic acid Traditional Name: 5-[[5-(4-fluorobenzyl)-6-keto-1,4-dimethyl-pyrimidin-2-yl]thio]valeric acid Formula: C18H21FN2O3S MolecularWeight: 364.434343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)SCCCCC(=O)O)C)CC2=CC=C(C=C2)F

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)SCCCCC(=O)O)C)CC2=CC=C(C=C2)F

InChI

InChI=1S/C18H21FN2O3S/c1-12-15(11-13-6-8-14(19)9-7-13)17(24)21(2)18(20-12)25-10-4-3-5-16(22)23/h6-9H,3-5,10-11H2,1-2H3,(H,22,23)