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

Systemtic Name: ethyl 4-[7-(3-chloranyl-4-methyl-phenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[7-(3-chloro-4-methyl-phenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[7-(3-chloro-4-methylphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[7-(3-chloro-4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[7-(3-chloro-4-methyl-phenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C26H26ClN5O2 MolecularWeight: 475.96994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26ClN5O2/c1-3-34-26(33)31-13-11-30(12-14-31)24-23-21(19-7-5-4-6-8-19)16-32(25(23)29-17-28-24)20-10-9-18(2)22(27)15-20/h4-10,15-17H,3,11-14H2,1-2H3