[1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-propan-2-yl]oxymethylphosphonic acid dihydrate

Systemtic Name: [1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-propan-2-yl]oxymethylphosphonic acid dihydrate Openeye Name: [1-[(4-amino-2-oxo-pyrimidin-1-yl)methyl]-2-hydroxy-ethoxy]methylphosphonic acid dihydrate CAS Name: [1-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid dihydrate IUPAC Name: [1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid dihydrate Traditional Name: [1-[(4-amino-2-keto-pyrimidin-1-yl)methyl]-2-hydroxy-ethoxy]methylphosphonic acid dihydrate Formula: C8H18N3O8P MolecularWeight: 315.217581

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)N=C1N)CC(CO)OCP(=O)(O)O.O.O

Isomeric SMILES

C1=CN(C(=O)N=C1N)CC(CO)OCP(=O)(O)O.O.O

InChI

InChI=1S/C8H14N3O6P.2H2O/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16;;/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16);2*1H2