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

Systemtic Name: ethyl 2-[7-(4-fluorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl-2-methyl-propanoate Openeye Name: ethyl 2-[7-(4-fluorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl-2-methyl-propanoate CAS Name: 2-[[7-(4-fluorophenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]thio]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl-2-methylpropanoate Traditional Name: 2-[[7-(4-fluorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]thio]-2-methyl-propionic acid ethyl ester Formula: C24H22FN3O2S MolecularWeight: 435.513783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22FN3O2S/c1-4-30-23(29)24(2,3)31-22-20-19(16-8-6-5-7-9-16)14-28(21(20)26-15-27-22)18-12-10-17(25)11-13-18/h5-15H,4H2,1-3H3