9-[(E)-3-oxidanylidenebut-1-enyl]-3H-purin-6-one

Systemtic Name: 9-[(E)-3-oxidanylidenebut-1-enyl]-3H-purin-6-one Openeye Name: 9-[(E)-3-oxobut-1-enyl]-3H-purin-6-one CAS Name: 9-[(E)-3-oxobut-1-enyl]-3H-purin-6-one IUPAC Name: 9-[(E)-3-oxobut-1-enyl]-3H-purin-6-one Traditional Name: 9-[(E)-3-ketobut-1-enyl]-3H-purin-6-one Formula: C9H8N4O2 MolecularWeight: 204.18542

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CN1C=NC2=C1NC=NC2=O

Isomeric SMILES

CC(=O)/C=C/N1C=NC2=C1NC=NC2=O

InChI

InChI=1S/C9H8N4O2/c1-6(14)2-3-13-5-12-7-8(13)10-4-11-9(7)15/h2-5H,1H3,(H,10,11,15)/b3-2+