[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-(3-oxidanylpropoxy)methyl] 2-methylpropanoate

Systemtic Name: [(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-(3-oxidanylpropoxy)methyl] 2-methylpropanoate Openeye Name: [(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-(3-hydroxypropoxy)methyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-(3-hydroxypropoxy)methyl] ester IUPAC Name: [(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-(3-hydroxypropoxy)methyl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)-(3-hydroxypropoxy)methyl] ester Formula: C13H21N5O5 MolecularWeight: 327.33634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC(N1CNC2=C1NC(=NC2=O)N)OCCCO

Isomeric SMILES

CC(C)C(=O)OC(N1CNC2=C1NC(=NC2=O)N)OCCCO

InChI

InChI=1S/C13H21N5O5/c1-7(2)11(21)23-13(22-5-3-4-19)18-6-15-8-9(18)16-12(14)17-10(8)20/h7,13,15,19H,3-6H2,1-2H3,(H3,14,16,17,20)