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

Systemtic Name: ethyl 2-methyl-2-[7-(3-methylphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl-propanoate Openeye Name: ethyl 2-methyl-2-[7-(m-tolyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl-propanoate CAS Name: 2-methyl-2-[[7-(3-methylphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-methyl-2-[7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanylpropanoate Traditional Name: 2-methyl-2-[[7-(m-tolyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]thio]propionic acid ethyl ester Formula: C25H25N3O2S MolecularWeight: 431.5499

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O2S/c1-5-30-24(29)25(3,4)31-23-21-20(18-11-7-6-8-12-18)15-28(22(21)26-16-27-23)19-13-9-10-17(2)14-19/h6-16H,5H2,1-4H3