ethyl 4-[[7-(4-bromophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[7-(4-bromophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[7-(4-bromophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[7-(4-bromophenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[7-(4-bromophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[7-(4-bromophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C26H26BrN5O2 MolecularWeight: 520.42094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2=NC=NC3=C2C(=CN3C4=CC=C(C=C4)Br)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC2=NC=NC3=C2C(=CN3C4=CC=C(C=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C26H26BrN5O2/c1-2-34-26(33)31-14-12-20(13-15-31)30-24-23-22(18-6-4-3-5-7-18)16-32(25(23)29-17-28-24)21-10-8-19(27)9-11-21/h3-11,16-17,20H,2,12-15H2,1H3,(H,28,29,30)