[5-(6-azanyl-2-methyl-purin-9-yl)-4-oxidanyl-2-(sulfanylmethyl)oxolan-3-yl] phosphono hydrogen phosphate

Systemtic Name: [5-(6-azanyl-2-methyl-purin-9-yl)-4-oxidanyl-2-(sulfanylmethyl)oxolan-3-yl] phosphono hydrogen phosphate Openeye Name: [5-(6-amino-2-methyl-purin-9-yl)-4-hydroxy-2-(sulfanylmethyl)tetrahydrofuran-3-yl] phosphono hydrogen phosphate CAS Name: [5-(6-amino-2-methyl-9-purinyl)-4-hydroxy-2-(mercaptomethyl)-3-oxolanyl] phosphono hydrogen phosphate IUPAC Name: [5-(6-amino-2-methylpurin-9-yl)-4-hydroxy-2-(sulfanylmethyl)oxolan-3-yl] phosphono hydrogen phosphate Traditional Name: [5-(6-amino-2-methyl-purin-9-yl)-4-hydroxy-2-(mercaptomethyl)tetrahydrofuran-3-yl] phosphono hydrogen phosphate Formula: C11H17N5O9P2S MolecularWeight: 457.293302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CS)OP(=O)(O)OP(=O)(O)O)O

Isomeric SMILES

CC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CS)OP(=O)(O)OP(=O)(O)O)O

InChI

InChI=1S/C11H17N5O9P2S/c1-4-14-9(12)6-10(15-4)16(3-13-6)11-7(17)8(5(2-28)23-11)24-27(21,22)25-26(18,19)20/h3,5,7-8,11,17,28H,2H2,1H3,(H,21,22)(H2,12,14,15)(H2,18,19,20)