[[5-(6-azanyl-2-butylsulfanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] phosphate

Systemtic Name: [[5-(6-azanyl-2-butylsulfanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] phosphate Openeye Name: [[5-(6-amino-2-butylsulfanyl-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] phosphate CAS Name: [[5-[6-amino-2-(butylthio)-9-purinyl]-3,4-dihydroxy-2-oxolanyl]methoxy-oxidophosphoryl] phosphate IUPAC Name: [[5-(6-amino-2-butylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate Traditional Name: [[5-[6-amino-2-(butylthio)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] phosphate Formula: C14H20N5O10P2S-3 MolecularWeight: 512.348622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])[O-])O)O

Isomeric SMILES

CCCCSC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])[O-])O)O

InChI

InChI=1S/C14H23N5O10P2S/c1-2-3-4-32-14-17-11(15)8-12(18-14)19(6-16-8)13-10(21)9(20)7(28-13)5-27-31(25,26)29-30(22,23)24/h6-7,9-10,13,20-21H,2-5H2,1H3,(H,25,26)(H2,15,17,18)(H2,22,23,24)/p-3