ethyl 4-[7-(3-chlorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[7-(3-chlorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[7-(3-chlorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[7-(3-chlorophenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[7-(3-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[7-(3-chlorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C25H24ClN5O2 MolecularWeight: 461.94336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC=NC3=C2C(=CN3C4=CC(=CC=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC=NC3=C2C(=CN3C4=CC(=CC=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C25H24ClN5O2/c1-2-33-25(32)30-13-11-29(12-14-30)23-22-21(18-7-4-3-5-8-18)16-31(24(22)28-17-27-23)20-10-6-9-19(26)15-20/h3-10,15-17H,2,11-14H2,1H3