4-azanyl-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one; phosphoric acid

Systemtic Name: 4-azanyl-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one; phosphoric acid Openeye Name: 4-amino-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one; phosphoric acid CAS Name: 4-amino-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2-pyrimidinone; phosphoric acid IUPAC Name: 4-amino-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one; phosphoric acid Traditional Name: 4-amino-1-(2-methylol-1,3-oxathiolan-5-yl)pyrimidin-2-one; phosphoric acid Formula: C8H20N3O15P3S MolecularWeight: 523.241783

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(S1)CO)N2C=CC(=NC2=O)N.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O

Isomeric SMILES

C1C(OC(S1)CO)N2C=CC(=NC2=O)N.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O

InChI

InChI=1S/C8H11N3O3S.3H3O4P/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6;3*1-5(2,3)4/h1-2,6-7,12H,3-4H2,(H2,9,10,13);3*(H3,1,2,3,4)