2-azanyl-6-[(1S,2R)-1,2,3-tris(oxidanyl)propyl]pteridin-4-olate

Systemtic Name: 2-azanyl-6-[(1S,2R)-1,2,3-tris(oxidanyl)propyl]pteridin-4-olate Openeye Name: 2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]pteridin-4-olate CAS Name: 2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-4-pteridinolate IUPAC Name: 2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]pteridin-4-olate Traditional Name: 2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]pteridin-4-olate Formula: C9H10N5O4- MolecularWeight: 252.2068

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=C2C(=N1)N=C(N=C2[O-])N)C(C(CO)O)O

Isomeric SMILES

C1=C(N=C2C(=N1)N=C(N=C2[O-])N)[C@@H]([C@@H](CO)O)O

InChI

InChI=1S/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h1,4,6,15-17H,2H2,(H3,10,11,13,14,18)/p-1/t4-,6+/m1/s1