2-azanyl-1-[2-(pyridazin-3-ylmethylsulfanyl)ethyl]-7H-purin-6-one sulfate

Systemtic Name: 2-azanyl-1-[2-(pyridazin-3-ylmethylsulfanyl)ethyl]-7H-purin-6-one sulfate Openeye Name: 2-amino-1-[2-(pyridazin-3-ylmethylsulfanyl)ethyl]-7H-purin-6-one sulfate CAS Name: 2-amino-1-[2-(3-pyridazinylmethylthio)ethyl]-7H-purin-6-one sulfate IUPAC Name: 2-amino-1-[2-(pyridazin-3-ylmethylsulfanyl)ethyl]-7H-purin-6-one sulfate Traditional Name: 2-amino-1-[2-(pyridazin-3-ylmethylthio)ethyl]-7H-purin-6-one sulfate Formula: C12H13N7O5S2-2 MolecularWeight: 399.40552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NN=C1)CSCCN2C(=O)C3=C(N=CN3)N=C2N.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=NN=C1)CSCCN2C(=O)C3=C(N=CN3)N=C2N.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C12H13N7OS.H2O4S/c13-12-17-10-9(14-7-15-10)11(20)19(12)4-5-21-6-8-2-1-3-16-18-8;1-5(2,3)4/h1-3,7H,4-6H2,(H2,13,17)(H,14,15);(H2,1,2,3,4)/p-2