[(1R,2S)-1-acetyloxy-1-(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)propan-2-yl] ethanoate

Systemtic Name: [(1R,2S)-1-acetyloxy-1-(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)propan-2-yl] ethanoate Openeye Name: [(1S,2R)-2-acetoxy-2-(2-amino-4-oxo-1H-pteridin-6-yl)-1-methyl-ethyl] acetate CAS Name: acetic acid [(1R,2S)-1-acetyloxy-1-(2-amino-4-oxo-1H-pteridin-6-yl)propan-2-yl] ester IUPAC Name: [(1R,2S)-1-acetyloxy-1-(2-amino-4-oxo-1H-pteridin-6-yl)propan-2-yl] acetate Traditional Name: acetic acid [(1S,2R)-2-acetoxy-2-(2-amino-4-keto-1H-pteridin-6-yl)-1-methyl-ethyl] ester Formula: C13H15N5O5 MolecularWeight: 321.2887

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CN=C2C(=N1)C(=O)N=C(N2)N)OC(=O)C)OC(=O)C

Isomeric SMILES

C[C@@H]([C@@H](C1=CN=C2C(=N1)C(=O)N=C(N2)N)OC(=O)C)OC(=O)C

InChI

InChI=1S/C13H15N5O5/c1-5(22-6(2)19)10(23-7(3)20)8-4-15-11-9(16-8)12(21)18-13(14)17-11/h4-5,10H,1-3H3,(H3,14,15,17,18,21)/t5-,10-/m0/s1