2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methylsulfanyl]ethanal

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methylsulfanyl]ethanal Openeye Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methylsulfanyl]acetaldehyde CAS Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methylthio]acetaldehyde IUPAC Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methylsulfanyl]acetaldehyde Traditional Name: 2-[(2-amino-6-keto-3H-purin-9-yl)methylthio]acetaldehyde Formula: C8H9N5O2S MolecularWeight: 239.25436

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CSCC=O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1CSCC=O)NC(=NC2=O)N

InChI

InChI=1S/C8H9N5O2S/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h1,3H,2,4H2,(H3,9,11,12,15)