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

Systemtic Name: ethyl 4-[(5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[(5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carboxylate CAS Name: 4-[(5,7-diphenyl-4-pyrrolo[2,3-d]pyrimidinyl)amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carboxylate Traditional Name: 4-[(5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carboxylic acid ethyl ester Formula: C26H27N5O2 MolecularWeight: 441.52488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N5O2/c1-2-33-26(32)30-15-13-20(14-16-30)29-24-23-22(19-9-5-3-6-10-19)17-31(25(23)28-18-27-24)21-11-7-4-8-12-21/h3-12,17-18,20H,2,13-16H2,1H3,(H,27,28,29)