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

Systemtic Name: ethyl 2-[7-(3-chloranyl-4-methyl-phenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanylethanoate Openeye Name: ethyl 2-[7-(3-chloro-4-methyl-phenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[7-(3-chloro-4-methylphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-(3-chloro-4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[7-(3-chloro-4-methyl-phenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]thio]acetic acid ethyl ester Formula: C23H20ClN3O2S MolecularWeight: 437.9418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20ClN3O2S/c1-3-29-20(28)13-30-23-21-18(16-7-5-4-6-8-16)12-27(22(21)25-14-26-23)17-10-9-15(2)19(24)11-17/h4-12,14H,3,13H2,1-2H3