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

Systemtic Name: ethyl 4-[7-(4-ethoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[7-(4-ethoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[7-(4-ethoxyphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[7-(4-ethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-(5-phenyl-7-p-phenetyl-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylic acid ethyl ester Formula: C27H29N5O3 MolecularWeight: 471.55086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3N4CCN(CC4)C(=O)OCC)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3N4CCN(CC4)C(=O)OCC)C5=CC=CC=C5

InChI

InChI=1S/C27H29N5O3/c1-3-34-22-12-10-21(11-13-22)32-18-23(20-8-6-5-7-9-20)24-25(28-19-29-26(24)32)30-14-16-31(17-15-30)27(33)35-4-2/h5-13,18-19H,3-4,14-17H2,1-2H3