InCHi String:
InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
canonical SMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O
isomeric SMILES: C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
PUBCHEM iupac NAME[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
PUBCHEM iupac TRADITIONAL NAME[(2R,3S,4R,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
PUBCHEM iupac OPENEYE NAME[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
PUBCHEM iupac CAS NAME[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
PUBCHEM iupac SYSTEMATIC NAME[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
PubChem Substance (SID):
85165113 149026 29225134PubChem Compound (CID):
6131KEGG: Compound ID
C00055CAS Registry IDs: 30811-80-4 63-37-6 162756-87-8 293738-08-6 55679-92-0 84-52-6
PDB Chemical Component
C C25 C5PMiscellaneous Databases and IDs:
Thomson Pharma 00062618
SMID C5P
ChemIDplus 030811804
ChEBI CHEBI:17361 ChemSpider 5901
EINECS 200-556-6
BIND 709
Sigma-Aldrich C1131_SIGMA
Beilstein Handbook Reference 4-25-00-03673
MMDB 19876.3
NIAID 221903
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.