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

Systemtic Name: 2-azanyl-1-[2-(pyridazin-3-ylmethylsulfanyl)ethyl]-7H-purin-6-one Openeye Name: 2-amino-1-[2-(pyridazin-3-ylmethylsulfanyl)ethyl]-7H-purin-6-one CAS Name: 2-amino-1-[2-(3-pyridazinylmethylthio)ethyl]-7H-purin-6-one IUPAC Name: 2-amino-1-[2-(pyridazin-3-ylmethylsulfanyl)ethyl]-7H-purin-6-one Traditional Name: 2-amino-1-[2-(pyridazin-3-ylmethylthio)ethyl]-7H-purin-6-one Formula: C12H13N7OS MolecularWeight: 303.34292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NN=C1)CSCCN2C(=O)C3=C(N=CN3)N=C2N

Isomeric SMILES

C1=CC(=NN=C1)CSCCN2C(=O)C3=C(N=CN3)N=C2N

InChI

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