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

Systemtic Name: dipotassium [5-(2-azanyl-6-sulfinamoyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate Openeye Name: dipotassium [5-(2-amino-6-sulfinamoyl-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate CAS Name: dipotassium [5-(2-amino-6-sulfinamoyl-9-purinyl)-3,4-dihydroxy-2-oxolanyl]methyl phosphate IUPAC Name: dipotassium [5-(2-amino-6-sulfinamoylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate Traditional Name: dipotassium [5-(2-amino-6-sulfinamoyl-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate Formula: C10H13K2N6O8PS MolecularWeight: 486.480981

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(C(O3)COP(=O)([O-])[O-])O)O)N=C(N=C2S(=O)N)N.[K+].[K+]

Isomeric SMILES

C1=NC2=C(N1C3C(C(C(O3)COP(=O)([O-])[O-])O)O)N=C(N=C2S(=O)N)N.[K+].[K+]

InChI

InChI=1S/C10H15N6O8PS.2K/c11-10-14-7-4(8(15-10)26(12)22)13-2-16(7)9-6(18)5(17)3(24-9)1-23-25(19,20)21;;/h2-3,5-6,9,17-18H,1,12H2,(H2,11,14,15)(H2,19,20,21);;/q;2*+1/p-2