(E)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)but-2-enal

Systemtic Name: (E)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)but-2-enal Openeye Name: (E)-4-(2-amino-6-oxo-3H-purin-9-yl)but-2-enal CAS Name: (E)-4-(2-amino-6-oxo-3H-purin-9-yl)-2-butenal IUPAC Name: (E)-4-(2-amino-6-oxo-3H-purin-9-yl)but-2-enal Traditional Name: (E)-4-(2-amino-6-keto-3H-purin-9-yl)but-2-enal Formula: C9H9N5O2 MolecularWeight: 219.20006

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CC=CC=O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1C/C=C/C=O)NC(=NC2=O)N

InChI

InChI=1S/C9H9N5O2/c10-9-12-7-6(8(16)13-9)11-5-14(7)3-1-2-4-15/h1-2,4-5H,3H2,(H3,10,12,13,16)/b2-1+