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

Systemtic Name: ethyl 2-[7-(3-chloranyl-4-methyl-phenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl-2-methyl-propanoate Openeye Name: ethyl 2-[7-(3-chloro-4-methyl-phenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl-2-methyl-propanoate CAS Name: 2-[[7-(3-chloro-4-methylphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]thio]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[7-(3-chloro-4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl-2-methylpropanoate Traditional Name: 2-[[7-(3-chloro-4-methyl-phenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]thio]-2-methyl-propionic acid ethyl ester Formula: C25H24ClN3O2S MolecularWeight: 465.99496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24ClN3O2S/c1-5-31-24(30)25(3,4)32-23-21-19(17-9-7-6-8-10-17)14-29(22(21)27-15-28-23)18-12-11-16(2)20(26)13-18/h6-15H,5H2,1-4H3