8-[(E)-3-oxidanylidenebut-1-enyl]sulfanyl-3,7-dihydropurin-6-one

Systemtic Name: 8-[(E)-3-oxidanylidenebut-1-enyl]sulfanyl-3,7-dihydropurin-6-one Openeye Name: 8-[(E)-3-oxobut-1-enyl]sulfanyl-3,7-dihydropurin-6-one CAS Name: 8-[[(E)-3-oxobut-1-enyl]thio]-3,7-dihydropurin-6-one IUPAC Name: 8-[(E)-3-oxobut-1-enyl]sulfanyl-3,7-dihydropurin-6-one Traditional Name: 8-[[(E)-3-ketobut-1-enyl]thio]-3,7-dihydropurin-6-one Formula: C9H8N4O2S MolecularWeight: 236.25042

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CSC1=NC2=C(N1)C(=O)N=CN2

Isomeric SMILES

CC(=O)/C=C/SC1=NC2=C(N1)C(=O)N=CN2

InChI

InChI=1S/C9H8N4O2S/c1-5(14)2-3-16-9-12-6-7(13-9)10-4-11-8(6)15/h2-4H,1H3,(H2,10,11,12,13,15)/b3-2+