3-[4-azanyl-5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylpropanoic acid

Systemtic Name: 3-[4-azanyl-5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylpropanoic acid Openeye Name: 3-[4-amino-5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylpropanoic acid CAS Name: 3-[[4-amino-5-[(4-fluoroanilino)-oxomethyl]-2-pyrimidinyl]thio]propanoic acid IUPAC Name: 3-[4-amino-5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylpropanoic acid Traditional Name: 3-[[4-amino-5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]thio]propionic acid Formula: C14H13FN4O3S MolecularWeight: 336.341423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13FN4O3S/c15-8-1-3-9(4-2-8)18-13(22)10-7-17-14(19-12(10)16)23-6-5-11(20)21/h1-4,7H,5-6H2,(H,18,22)(H,20,21)(H2,16,17,19)