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

Systemtic Name: disodium [5-(6-azanyl-8-butylsulfanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate Openeye Name: disodium [5-(6-amino-8-butylsulfanyl-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate CAS Name: disodium [5-[6-amino-8-(butylthio)-9-purinyl]-3,4-dihydroxy-2-oxolanyl]methyl phosphate IUPAC Name: disodium [5-(6-amino-8-butylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate Traditional Name: disodium [5-[6-amino-8-(butylthio)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate Formula: C14H20N5Na2O7PS MolecularWeight: 479.356201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(N1C3C(C(C(O3)COP(=O)([O-])[O-])O)O)N=CN=C2N.[Na+].[Na+]

Isomeric SMILES

CCCCSC1=NC2=C(N1C3C(C(C(O3)COP(=O)([O-])[O-])O)O)N=CN=C2N.[Na+].[Na+]

InChI

InChI=1S/C14H22N5O7PS.2Na/c1-2-3-4-28-14-18-8-11(15)16-6-17-12(8)19(14)13-10(21)9(20)7(26-13)5-25-27(22,23)24;;/h6-7,9-10,13,20-21H,2-5H2,1H3,(H2,15,16,17)(H2,22,23,24);;/q;2*+1/p-2