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

Systemtic Name: ethyl 4-[7-(3-methylphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[7-(m-tolyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[7-(3-methylphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[7-(m-tolyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C26H27N5O2 MolecularWeight: 441.52488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N5O2/c1-3-33-26(32)30-14-12-29(13-15-30)24-23-22(20-9-5-4-6-10-20)17-31(25(23)28-18-27-24)21-11-7-8-19(2)16-21/h4-11,16-18H,3,12-15H2,1-2H3