[5-[5-[(4-butoxyphenyl)methyl]-2-oxidanylidene-4-sulfanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

Systemtic Name: [5-[5-[(4-butoxyphenyl)methyl]-2-oxidanylidene-4-sulfanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate Openeye Name: [5-[5-[(4-butoxyphenyl)methyl]-2-oxo-4-thioxo-pyrimidin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate CAS Name: [5-[5-[(4-butoxyphenyl)methyl]-2-oxo-4-sulfanylidene-1-pyrimidinyl]-3,4-dihydroxy-2-oxolanyl]methyl dihydrogen phosphate IUPAC Name: [5-[5-[(4-butoxyphenyl)methyl]-2-oxo-4-sulfanylidenepyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate Traditional Name: [5-[5-(4-butoxybenzyl)-2-keto-4-thioxo-pyrimidin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate Formula: C20H27N2O9PS MolecularWeight: 502.475141

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CC2=CN(C(=O)NC2=S)C3C(C(C(O3)COP(=O)(O)O)O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CC2=CN(C(=O)NC2=S)C3C(C(C(O3)COP(=O)(O)O)O)O

InChI

InChI=1S/C20H27N2O9PS/c1-2-3-8-29-14-6-4-12(5-7-14)9-13-10-22(20(25)21-18(13)33)19-17(24)16(23)15(31-19)11-30-32(26,27)28/h4-7,10,15-17,19,23-24H,2-3,8-9,11H2,1H3,(H,21,25,33)(H2,26,27,28)