4-[4-azanyl-5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylbutanoic acid

Systemtic Name: 4-[4-azanyl-5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylbutanoic acid Openeye Name: 4-[4-amino-5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylbutanoic acid CAS Name: 4-[[4-amino-5-[(4-fluoroanilino)-oxomethyl]-2-pyrimidinyl]thio]butanoic acid IUPAC Name: 4-[4-amino-5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylbutanoic acid Traditional Name: 4-[[4-amino-5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]thio]butyric acid Formula: C15H15FN4O3S MolecularWeight: 350.368003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=CN=C(N=C2N)SCCCC(=O)O)F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=CN=C(N=C2N)SCCCC(=O)O)F

InChI

InChI=1S/C15H15FN4O3S/c16-9-3-5-10(6-4-9)19-14(23)11-8-18-15(20-13(11)17)24-7-1-2-12(21)22/h3-6,8H,1-2,7H2,(H,19,23)(H,21,22)(H2,17,18,20)