ethyl 1-(2,5,6-trimethyl-7-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(2,5,6-trimethyl-7-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate Openeye Name: ethyl 1-(2,5,6-trimethyl-7-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate CAS Name: 1-(2,5,6-trimethyl-7-phenyl-4-pyrrolo[2,3-d]pyrimidinyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,5,6-trimethyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate Traditional Name: 1-(2,5,6-trimethyl-7-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl)isonipecotic acid ethyl ester Formula: C23H28N4O2 MolecularWeight: 392.49402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC(=NC3=C2C(=C(N3C4=CC=CC=C4)C)C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC(=NC3=C2C(=C(N3C4=CC=CC=C4)C)C)C

InChI

InChI=1S/C23H28N4O2/c1-5-29-23(28)18-11-13-26(14-12-18)21-20-15(2)16(3)27(19-9-7-6-8-10-19)22(20)25-17(4)24-21/h6-10,18H,5,11-14H2,1-4H3