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

Systemtic Name: [5-(6-azanyl-2-hex-5-enylsulfanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate Openeye Name: [5-(6-amino-2-hex-5-enylsulfanyl-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate CAS Name: [5-[6-amino-2-(hex-5-enylthio)-9-purinyl]-3,4-dihydroxy-2-oxolanyl]methyl phosphate IUPAC Name: [5-(6-amino-2-hex-5-enylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate Traditional Name: [5-[6-amino-2-(hex-5-enylthio)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate Formula: C16H22N5O7PS-2 MolecularWeight: 459.413941

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCCSC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)([O-])[O-])O)O

Isomeric SMILES

C=CCCCCSC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)([O-])[O-])O)O

InChI

InChI=1S/C16H24N5O7PS/c1-2-3-4-5-6-30-16-19-13(17)10-14(20-16)21(8-18-10)15-12(23)11(22)9(28-15)7-27-29(24,25)26/h2,8-9,11-12,15,22-23H,1,3-7H2,(H2,17,19,20)(H2,24,25,26)/p-2