tert-butyl 3-[6-(3-methylbut-2-enylamino)purin-9-yl]propanoate

Systemtic Name: tert-butyl 3-[6-(3-methylbut-2-enylamino)purin-9-yl]propanoate Openeye Name: tert-butyl 3-[6-(3-methylbut-2-enylamino)purin-9-yl]propanoate CAS Name: 3-[6-(3-methylbut-2-enylamino)-9-purinyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[6-(3-methylbut-2-enylamino)purin-9-yl]propanoate Traditional Name: 3-[6-(3-methylbut-2-enylamino)purin-9-yl]propionic acid tert-butyl ester Formula: C17H25N5O2 MolecularWeight: 331.4127

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N5O2/c1-12(2)6-8-18-15-14-16(20-10-19-15)22(11-21-14)9-7-13(23)24-17(3,4)5/h6,10-11H,7-9H2,1-5H3,(H,18,19,20)