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

Systemtic Name: ethyl 4-[[9-[(2,4-dimethylphenyl)methyl]purin-8-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[9-[(2,4-dimethylphenyl)methyl]purin-8-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[9-[(2,4-dimethylphenyl)methyl]-8-purinyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[9-[(2,4-dimethylphenyl)methyl]purin-8-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[9-(2,4-dimethylbenzyl)purin-8-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C22H28N6O2 MolecularWeight: 408.49672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2=NC3=CN=CN=C3N2CC4=C(C=C(C=C4)C)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC2=NC3=CN=CN=C3N2CC4=C(C=C(C=C4)C)C

InChI

InChI=1S/C22H28N6O2/c1-4-30-22(29)27-9-7-18(8-10-27)25-21-26-19-12-23-14-24-20(19)28(21)13-17-6-5-15(2)11-16(17)3/h5-6,11-12,14,18H,4,7-10,13H2,1-3H3,(H,25,26)