(4-azanyl-2-methyl-pyrimidin-5-yl)methyl phosphono hydrogen phosphate

Systemtic Name: (4-azanyl-2-methyl-pyrimidin-5-yl)methyl phosphono hydrogen phosphate Openeye Name: (4-amino-2-methyl-pyrimidin-5-yl)methyl phosphono hydrogen phosphate CAS Name: (4-amino-2-methyl-5-pyrimidinyl)methyl phosphono hydrogen phosphate IUPAC Name: (4-amino-2-methylpyrimidin-5-yl)methyl phosphono hydrogen phosphate Traditional Name: (4-amino-2-methyl-pyrimidin-5-yl)methyl phosphono hydrogen phosphate Formula: C6H11N3O7P2 MolecularWeight: 299.114962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)N)COP(=O)(O)OP(=O)(O)O

Isomeric SMILES

CC1=NC=C(C(=N1)N)COP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C6H11N3O7P2/c1-4-8-2-5(6(7)9-4)3-15-18(13,14)16-17(10,11)12/h2H,3H2,1H3,(H,13,14)(H2,7,8,9)(H2,10,11,12)