ethyl 2-[7-(3-fluorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[7-(3-fluorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanylethanoate Openeye Name: ethyl 2-[7-(3-fluorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[7-(3-fluorophenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-(3-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[7-(3-fluorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]thio]acetic acid ethyl ester Formula: C22H18FN3O2S MolecularWeight: 407.460623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC=NC2=C1C(=CN2C3=CC(=CC=C3)F)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CSC1=NC=NC2=C1C(=CN2C3=CC(=CC=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C22H18FN3O2S/c1-2-28-19(27)13-29-22-20-18(15-7-4-3-5-8-15)12-26(21(20)24-14-25-22)17-10-6-9-16(23)11-17/h3-12,14H,2,13H2,1H3