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

Systemtic Name: ethyl 2-[7-(3-chlorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl-2-methyl-propanoate Openeye Name: ethyl 2-[7-(3-chlorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl-2-methyl-propanoate CAS Name: 2-[[7-(3-chlorophenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]thio]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[7-(3-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl-2-methylpropanoate Traditional Name: 2-[[7-(3-chlorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]thio]-2-methyl-propionic acid ethyl ester Formula: C24H22ClN3O2S MolecularWeight: 451.96838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22ClN3O2S/c1-4-30-23(29)24(2,3)31-22-20-19(16-9-6-5-7-10-16)14-28(21(20)26-15-27-22)18-12-8-11-17(25)13-18/h5-15H,4H2,1-3H3