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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NC=NC2=C1C(=CN2C3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)OC)SC1=NC=NC2=C1C(=CN2C3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

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