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

Systemtic Name: ethyl 1-[9-(4-chlorophenyl)purin-6-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[9-(4-chlorophenyl)purin-6-yl]piperidine-4-carboxylate CAS Name: 1-[9-(4-chlorophenyl)-6-purinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[9-(4-chlorophenyl)purin-6-yl]piperidine-4-carboxylate Traditional Name: 1-[9-(4-chlorophenyl)purin-6-yl]isonipecotic acid ethyl ester Formula: C19H20ClN5O2 MolecularWeight: 385.8474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN5O2/c1-2-27-19(26)13-7-9-24(10-8-13)17-16-18(22-11-21-17)25(12-23-16)15-5-3-14(20)4-6-15/h3-6,11-13H,2,7-10H2,1H3