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

Systemtic Name: [(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-(3-oxidanylpropoxy)methyl] 3-oxidanylpropanoate Openeye Name: [(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-(3-hydroxypropoxy)methyl] 3-hydroxypropanoate CAS Name: 3-hydroxypropanoic 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] 3-hydroxypropanoate Traditional Name: 3-hydroxypropionic acid [(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)-(3-hydroxypropoxy)methyl] ester Formula: C12H19N5O6 MolecularWeight: 329.30916

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(N1C(OCCCO)OC(=O)CCO)NC(=NC2=O)N

Isomeric SMILES

C1NC2=C(N1C(OCCCO)OC(=O)CCO)NC(=NC2=O)N

InChI

InChI=1S/C12H19N5O6/c13-11-15-9-8(10(21)16-11)14-6-17(9)12(22-5-1-3-18)23-7(20)2-4-19/h12,14,18-19H,1-6H2,(H3,13,15,16,21)