(E)-3-(6-aminopurin-9-yl)prop-2-enal

Systemtic Name: (E)-3-(6-aminopurin-9-yl)prop-2-enal Openeye Name: (E)-3-(6-aminopurin-9-yl)prop-2-enal CAS Name: (E)-3-(6-aminopurin-9-yl)-2-propenal IUPAC Name: (E)-3-(6-aminopurin-9-yl)prop-2-enal Traditional Name: (E)-3-adenin-9-ylacrolein Formula: C8H7N5O MolecularWeight: 189.17408

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C=CC=O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2/C=C/C=O

InChI

InChI=1S/C8H7N5O/c9-7-6-8(11-4-10-7)13(5-12-6)2-1-3-14/h1-5H,(H2,9,10,11)/b2-1+