Description
IUPAC Name: 2,4-diamino-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-pyrimidin-6-one
InChI: InChI=1S/C10H16N4O7/c11-7-6(8(19)14-10(12)13-7)21-9-5(18)4(17)3(16)2(1-15)20-9/h2-5,9,15-18H,1H2,(H5,11,12,13,14,19)/t2-,3-,4+,5-,9+/m1/s1
InChIKey: KGNGTSCIQCLKEH-SYCVNHKBSA-N
Canonical SMILES: C(C1C(C(C(C(O1)OC2=C(N=C(NC2=O)N)N)O)O)O)O
Isomeric SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(N=C(NC2=O)N)N)O)O)O)O
Synonyms: Vicine; 152-93-2; Vicioside; 2,6-Diamino-5-(beta-D-glucopyranosyloxy)-(1H)-pyrimidin-4-one; NSC-95092; COL14PJW3X; C08437; CID 91446; …
Botanical Source: