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

Systemtic Name: ethyl 4-[7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[7-(4-methoxyphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C26H27N5O3 MolecularWeight: 457.52428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N5O3/c1-3-34-26(32)30-15-13-29(14-16-30)24-23-22(19-7-5-4-6-8-19)17-31(25(23)28-18-27-24)20-9-11-21(33-2)12-10-20/h4-12,17-18H,3,13-16H2,1-2H3