[5-(6-azanyl-8-pentylsulfanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

Systemtic Name: [5-(6-azanyl-8-pentylsulfanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate Openeye Name: [5-(6-amino-8-pentylsulfanyl-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate CAS Name: [5-[6-amino-8-(pentylthio)-9-purinyl]-3,4-dihydroxy-2-oxolanyl]methyl dihydrogen phosphate IUPAC Name: [5-(6-amino-8-pentylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate Traditional Name: [5-[6-amino-8-(amylthio)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate Formula: C15H24N5O7PS MolecularWeight: 449.419121

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)O)O)O)N=CN=C2N

Isomeric SMILES

CCCCCSC1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)O)O)O)N=CN=C2N

InChI

InChI=1S/C15H24N5O7PS/c1-2-3-4-5-29-15-19-9-12(16)17-7-18-13(9)20(15)14-11(22)10(21)8(27-14)6-26-28(23,24)25/h7-8,10-11,14,21-22H,2-6H2,1H3,(H2,16,17,18)(H2,23,24,25)