tert-butyl 4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-yl-purin-9-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-yl-purin-9-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[3-(hydroxymethyl)phenyl]-6-morpholino-purin-9-yl]piperidine-1-carboxylate CAS Name: 4-[2-[3-(hydroxymethyl)phenyl]-6-(4-morpholinyl)-9-purinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpurin-9-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(3-methylolphenyl)-6-morpholino-purin-9-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H34N6O4 MolecularWeight: 494.58596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)N2C=NC3=C2N=C(N=C3N4CCOCC4)C5=CC(=CC=C5)CO

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N2C=NC3=C2N=C(N=C3N4CCOCC4)C5=CC(=CC=C5)CO

InChI

InChI=1S/C26H34N6O4/c1-26(2,3)36-25(34)31-9-7-20(8-10-31)32-17-27-21-23(30-11-13-35-14-12-30)28-22(29-24(21)32)19-6-4-5-18(15-19)16-33/h4-6,15,17,20,33H,7-14,16H2,1-3H3