tert-butyl 3-[6-[(3-methyl-4-oxidanyl-butyl)amino]purin-9-yl]propanoate

Systemtic Name: tert-butyl 3-[6-[(3-methyl-4-oxidanyl-butyl)amino]purin-9-yl]propanoate Openeye Name: tert-butyl 3-[6-[(4-hydroxy-3-methyl-butyl)amino]purin-9-yl]propanoate CAS Name: 3-[6-[(4-hydroxy-3-methylbutyl)amino]-9-purinyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[6-[(4-hydroxy-3-methylbutyl)amino]purin-9-yl]propanoate Traditional Name: 3-[6-[(4-hydroxy-3-methyl-butyl)amino]purin-9-yl]propionic acid tert-butyl ester Formula: C17H27N5O3 MolecularWeight: 349.42798

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC1=NC=NC2=C1N=CN2CCC(=O)OC(C)(C)C)CO

Isomeric SMILES

CC(CCNC1=NC=NC2=C1N=CN2CCC(=O)OC(C)(C)C)CO

InChI

InChI=1S/C17H27N5O3/c1-12(9-23)5-7-18-15-14-16(20-10-19-15)22(11-21-14)8-6-13(24)25-17(2,3)4/h10-12,23H,5-9H2,1-4H3,(H,18,19,20)