[[2,6-bis(azanyl)purin-9-yl]-(3-oxidanylpropoxy)methyl] 2-methylpropanoate

Systemtic Name: [[2,6-bis(azanyl)purin-9-yl]-(3-oxidanylpropoxy)methyl] 2-methylpropanoate Openeye Name: [(2,6-diaminopurin-9-yl)-(3-hydroxypropoxy)methyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [(2,6-diamino-9-purinyl)-(3-hydroxypropoxy)methyl] ester IUPAC Name: [(2,6-diaminopurin-9-yl)-(3-hydroxypropoxy)methyl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [(2,6-diaminopurin-9-yl)-(3-hydroxypropoxy)methyl] ester Formula: C13H20N6O4 MolecularWeight: 324.3357

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC(N1C=NC2=C1N=C(N=C2N)N)OCCCO

Isomeric SMILES

CC(C)C(=O)OC(N1C=NC2=C1N=C(N=C2N)N)OCCCO

InChI

InChI=1S/C13H20N6O4/c1-7(2)11(21)23-13(22-5-3-4-20)19-6-16-8-9(14)17-12(15)18-10(8)19/h6-7,13,20H,3-5H2,1-2H3,(H4,14,15,17,18)