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

Systemtic Name: ethyl 2-[4-azanyl-5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C15H15FN4O3S MolecularWeight: 350.368003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15FN4O3S/c1-2-23-12(21)8-24-15-18-7-11(13(17)20-15)14(22)19-10-5-3-9(16)4-6-10/h3-7H,2,8H2,1H3,(H,19,22)(H2,17,18,20)