[(2R,3S,4S,5R)-5-(4-azanyl-2-sulfanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl tetradecyl hydrogen phosphate

Systemtic Name: [(2R,3S,4S,5R)-5-(4-azanyl-2-sulfanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl tetradecyl hydrogen phosphate Openeye Name: [(2R,3S,4S,5R)-5-(4-amino-2-thioxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl tetradecyl hydrogen phosphate CAS Name: [(2R,3S,4S,5R)-5-(4-amino-2-sulfanylidene-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methyl tetradecyl hydrogen phosphate IUPAC Name: [(2R,3S,4S,5R)-5-(4-amino-2-sulfanylidenepyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl tetradecyl hydrogen phosphate Traditional Name: [(2R,3S,4S,5R)-5-(4-amino-2-thioxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl myristyl hydrogen phosphate Formula: C23H42N3O7PS MolecularWeight: 535.634241

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=S)N)O)O

Isomeric SMILES

CCCCCCCCCCCCCCOP(=O)(O)OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=CC(=NC2=S)N)O)O

InChI

InChI=1S/C23H42N3O7PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-31-34(29,30)32-17-18-20(27)21(28)22(33-18)26-15-14-19(24)25-23(26)35/h14-15,18,20-22,27-28H,2-13,16-17H2,1H3,(H,29,30)(H2,24,25,35)/t18-,20-,21+,22-/m1/s1