4-azanyl-1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-(3-sulfanylprop-1-ynyl)pyrimidin-2-one; phosphoric acid

Systemtic Name: 4-azanyl-1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-(3-sulfanylprop-1-ynyl)pyrimidin-2-one; phosphoric acid Openeye Name: 4-amino-1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-(3-sulfanylprop-1-ynyl)pyrimidin-2-one; phosphoric acid CAS Name: 4-amino-1-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-(3-mercaptoprop-1-ynyl)-2-pyrimidinone; phosphoric acid IUPAC Name: 4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(3-sulfanylprop-1-ynyl)pyrimidin-2-one; phosphoric acid Traditional Name: 4-amino-1-(4-hydroxy-5-methylol-tetrahydrofuran-2-yl)-5-(3-mercaptoprop-1-ynyl)pyrimidin-2-one; phosphoric acid Formula: C12H24N3O16P3S MolecularWeight: 591.315743

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=C(C(=NC2=O)N)C#CCS)CO)O.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O

Isomeric SMILES

C1C(C(OC1N2C=C(C(=NC2=O)N)C#CCS)CO)O.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O

InChI

InChI=1S/C12H15N3O4S.3H3O4P/c13-11-7(2-1-3-20)5-15(12(18)14-11)10-4-8(17)9(6-16)19-10;3*1-5(2,3)4/h5,8-10,16-17,20H,3-4,6H2,(H2,13,14,18);3*(H3,1,2,3,4)