methyl 2-[4-azanyl-5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[4-azanyl-5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[4-amino-5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-amino-5-[(4-fluoroanilino)-oxomethyl]-2-pyrimidinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[4-amino-5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-amino-5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]thio]acetic acid methyl ester Formula: C14H13FN4O3S MolecularWeight: 336.341423

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC=C(C(=N1)N)C(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

COC(=O)CSC1=NC=C(C(=N1)N)C(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C14H13FN4O3S/c1-22-11(20)7-23-14-17-6-10(12(16)19-14)13(21)18-9-4-2-8(15)3-5-9/h2-6H,7H2,1H3,(H,18,21)(H2,16,17,19)