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

Systemtic Name: 2-[4-azanyl-5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-amino-5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-amino-5-[(4-fluoroanilino)-oxomethyl]-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-amino-5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-amino-5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]thio]acetic acid Formula: C13H11FN4O3S MolecularWeight: 322.314843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11FN4O3S/c14-7-1-3-8(4-2-7)17-12(21)9-5-16-13(18-11(9)15)22-6-10(19)20/h1-5H,6H2,(H,17,21)(H,19,20)(H2,15,16,18)