[[6-(methylamino)purin-9-yl]-(3-oxidanylpropoxy)methyl] 2-methylpropanoate

Systemtic Name: [[6-(methylamino)purin-9-yl]-(3-oxidanylpropoxy)methyl] 2-methylpropanoate Openeye Name: [3-hydroxypropoxy-[6-(methylamino)purin-9-yl]methyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [3-hydroxypropoxy-[6-(methylamino)-9-purinyl]methyl] ester IUPAC Name: [3-hydroxypropoxy-[6-(methylamino)purin-9-yl]methyl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [3-hydroxypropoxy-[6-(methylamino)purin-9-yl]methyl] ester Formula: C14H21N5O4 MolecularWeight: 323.34764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC(N1C=NC2=C1N=CN=C2NC)OCCCO

Isomeric SMILES

CC(C)C(=O)OC(N1C=NC2=C1N=CN=C2NC)OCCCO

InChI

InChI=1S/C14H21N5O4/c1-9(2)13(21)23-14(22-6-4-5-20)19-8-18-10-11(15-3)16-7-17-12(10)19/h7-9,14,20H,4-6H2,1-3H3,(H,15,16,17)