2-(6-azanyl-2-methylsulfanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; phosphoric acid

Systemtic Name: 2-(6-azanyl-2-methylsulfanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; phosphoric acid Openeye Name: 2-(6-amino-2-methylsulfanyl-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; phosphoric acid CAS Name: 2-[6-amino-2-(methylthio)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol; phosphoric acid IUPAC Name: 2-(6-amino-2-methylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; phosphoric acid Traditional Name: 2-[6-amino-2-(methylthio)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol; phosphoric acid Formula: C11H21N5O12P2S MolecularWeight: 509.323262

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O.OP(=O)(O)O.OP(=O)(O)O

Isomeric SMILES

CSC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O.OP(=O)(O)O.OP(=O)(O)O

InChI

InChI=1S/C11H15N5O4S.2H3O4P/c1-21-11-14-8(12)5-9(15-11)16(3-13-5)10-7(19)6(18)4(2-17)20-10;2*1-5(2,3)4/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15);2*(H3,1,2,3,4)