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

Systemtic Name: [5-(6-azanyl-8-methylsulfanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate Openeye Name: [5-(6-amino-8-methylsulfanyl-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate CAS Name: [5-[6-amino-8-(methylthio)-9-purinyl]-3,4-dihydroxy-2-oxolanyl]methyl phosphate IUPAC Name: [5-(6-amino-8-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate Traditional Name: [5-[6-amino-8-(methylthio)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate Formula: C11H14N5O7PS-2 MolecularWeight: 391.296921

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(N1C3C(C(C(O3)COP(=O)([O-])[O-])O)O)N=CN=C2N

Isomeric SMILES

CSC1=NC2=C(N1C3C(C(C(O3)COP(=O)([O-])[O-])O)O)N=CN=C2N

InChI

InChI=1S/C11H16N5O7PS/c1-25-11-15-5-8(12)13-3-14-9(5)16(11)10-7(18)6(17)4(23-10)2-22-24(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H2,12,13,14)(H2,19,20,21)/p-2