2-azanyl-9-[(4E)-4-hydroxyiminobutyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(4E)-4-hydroxyiminobutyl]-3H-purin-6-one Openeye Name: (1E)-4-(2-amino-6-oxo-3H-purin-9-yl)butanal oxime CAS Name: (1E)-4-(2-amino-6-oxo-3H-purin-9-yl)butanal oxime IUPAC Name: 2-amino-9-[(4E)-4-hydroxyiminobutyl]-3H-purin-6-one Traditional Name: (1E)-4-(2-amino-6-keto-3H-purin-9-yl)butyraldoxime Formula: C9H12N6O2 MolecularWeight: 236.23058

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCCC=NO)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1CCC/C=N/O)NC(=NC2=O)N

InChI

InChI=1S/C9H12N6O2/c10-9-13-7-6(8(16)14-9)11-5-15(7)4-2-1-3-12-17/h3,5,17H,1-2,4H2,(H3,10,13,14,16)/b12-3+