(E)-4-(6-aminopurin-9-yl)but-3-en-2-one

Systemtic Name: (E)-4-(6-aminopurin-9-yl)but-3-en-2-one Openeye Name: (E)-4-(6-aminopurin-9-yl)but-3-en-2-one CAS Name: (E)-4-(6-aminopurin-9-yl)-3-buten-2-one IUPAC Name: (E)-4-(6-aminopurin-9-yl)but-3-en-2-one Traditional Name: (E)-4-adenin-9-ylbut-3-en-2-one Formula: C9H9N5O MolecularWeight: 203.20066

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CN1C=NC2=C1N=CN=C2N

Isomeric SMILES

CC(=O)/C=C/N1C=NC2=C1N=CN=C2N

InChI

InChI=1S/C9H9N5O/c1-6(15)2-3-14-5-13-7-8(10)11-4-12-9(7)14/h2-5H,1H3,(H2,10,11,12)/b3-2+