1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione; N-(3-phenyl-3-sulfanylidene-propyl)-N-pyrrolidin-1-yl-sulfanyl-phosphonamidous acid

Systemtic Name: 1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione; N-(3-phenyl-3-sulfanylidene-propyl)-N-pyrrolidin-1-yl-sulfanyl-phosphonamidous acid Openeye Name: 1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione; N-(3-phenyl-3-thioxo-propyl)-N-pyrrolidin-1-yl-sulfanyl-phosphonamidous acid CAS Name: 1-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-methylpyrimidine-2,4-dione; mercapto-N-(3-phenyl-3-sulfanylidenepropyl)-N-(1-pyrrolidinyl)phosphonamidous acid IUPAC Name: 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione; N-(3-phenyl-3-sulfanylidenepropyl)-N-pyrrolidin-1-yl-sulfanylphosphonamidous acid Traditional Name: 1-(4-hydroxy-5-methylol-tetrahydrofuran-2-yl)-5-methyl-pyrimidine-2,4-quinone; mercapto-N-(3-phenyl-3-thioxo-propyl)-N-pyrrolidino-phosphonamidous acid Formula: C23H33N4O6PS2 MolecularWeight: 556.635081

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O.C1CCN(C1)N(CCC(=S)C2=CC=CC=C2)P(O)S

Isomeric SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O.C1CCN(C1)N(CCC(=S)C2=CC=CC=C2)P(O)S

InChI

InChI=1S/C13H19N2OPS2.C10H14N2O5/c16-17(19)15(14-9-4-5-10-14)11-8-13(18)12-6-2-1-3-7-12;1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h1-3,6-7,16,19H,4-5,8-11H2;3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)