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

Systemtic Name: 2-azanyl-6-[(1S,2R)-1,2,3-tris(oxidanyl)propyl]-1H-pteridin-4-one Openeye Name: 2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-1H-pteridin-4-one CAS Name: 2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-1H-pteridin-4-one IUPAC Name: 2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-1H-pteridin-4-one Traditional Name: 2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-1H-pteridin-4-one Formula: C9H11N5O4 MolecularWeight: 258.178014

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=C2C(=N1)NC(=NC2=O)N)C(C(CO)O)O

Isomeric SMILES

[13CH]1=[13C](N=C2C(=N1)NC(=NC2=O)N)[13C@@H]([13C@@H]([13CH2]O)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)/t4-,6+/m1/s1/i1+1,2+1,3+1,4+1,6+1