ethyl 1-[9-(3-methylphenyl)purin-6-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[9-(3-methylphenyl)purin-6-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[9-(m-tolyl)purin-6-yl]piperidine-4-carboxylate CAS Name: 1-[9-(3-methylphenyl)-6-purinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[9-(3-methylphenyl)purin-6-yl]piperidine-4-carboxylate Traditional Name: 1-[9-(m-tolyl)purin-6-yl]isonipecotic acid ethyl ester Formula: C20H23N5O2 MolecularWeight: 365.42892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC=NC3=C2N=CN3C4=CC=CC(=C4)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC=NC3=C2N=CN3C4=CC=CC(=C4)C

InChI

InChI=1S/C20H23N5O2/c1-3-27-20(26)15-7-9-24(10-8-15)18-17-19(22-12-21-18)25(13-23-17)16-6-4-5-14(2)11-16/h4-6,11-13,15H,3,7-10H2,1-2H3