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

Systemtic Name: tert-butyl 4-[2-(3-hydroxyphenyl)-6-morpholin-4-yl-purin-9-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(3-hydroxyphenyl)-6-morpholino-purin-9-yl]piperidine-1-carboxylate CAS Name: 4-[2-(3-hydroxyphenyl)-6-(4-morpholinyl)-9-purinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3-hydroxyphenyl)-6-morpholin-4-ylpurin-9-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(3-hydroxyphenyl)-6-morpholino-purin-9-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H32N6O4 MolecularWeight: 480.55938

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C25H32N6O4/c1-25(2,3)35-24(33)30-9-7-18(8-10-30)31-16-26-20-22(29-11-13-34-14-12-29)27-21(28-23(20)31)17-5-4-6-19(32)15-17/h4-6,15-16,18,32H,7-14H2,1-3H3