ethyl 1-(5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate Openeye Name: ethyl 1-(5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate CAS Name: 1-(5,7-diphenyl-4-pyrrolo[2,3-d]pyrimidinyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate Traditional Name: 1-(5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-yl)isonipecotic acid ethyl ester Formula: C26H26N4O2 MolecularWeight: 426.51024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC=NC3=C2C(=CN3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC=NC3=C2C(=CN3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H26N4O2/c1-2-32-26(31)20-13-15-29(16-14-20)24-23-22(19-9-5-3-6-10-19)17-30(25(23)28-18-27-24)21-11-7-4-8-12-21/h3-12,17-18,20H,2,13-16H2,1H3