ethyl 4-[[9-[2-(2,4-dimethylphenyl)ethyl]purin-8-yl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[9-[2-(2,4-dimethylphenyl)ethyl]purin-8-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[9-[2-(2,4-dimethylphenyl)ethyl]purin-8-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[9-[2-(2,4-dimethylphenyl)ethyl]-8-purinyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[9-[2-(2,4-dimethylphenyl)ethyl]purin-8-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[9-[2-(2,4-dimethylphenyl)ethyl]purin-8-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C23H30N6O2 MolecularWeight: 422.5233

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2=NC3=CN=CN=C3N2CCC4=C(C=C(C=C4)C)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC2=NC3=CN=CN=C3N2CCC4=C(C=C(C=C4)C)C

InChI

InChI=1S/C23H30N6O2/c1-4-31-23(30)28-10-8-19(9-11-28)26-22-27-20-14-24-15-25-21(20)29(22)12-7-18-6-5-16(2)13-17(18)3/h5-6,13-15,19H,4,7-12H2,1-3H3,(H,26,27)