(E)-6-(6-chloranylpurin-9-yl)-4-methyl-hex-4-enoic acid

Systemtic Name: (E)-6-(6-chloranylpurin-9-yl)-4-methyl-hex-4-enoic acid Openeye Name: (E)-6-(6-chloropurin-9-yl)-4-methyl-hex-4-enoic acid CAS Name: (E)-6-(6-chloro-9-purinyl)-4-methyl-4-hexenoic acid IUPAC Name: (E)-6-(6-chloropurin-9-yl)-4-methylhex-4-enoic acid Traditional Name: (E)-6-(6-chloropurin-9-yl)-4-methyl-hex-4-enoic acid Formula: C12H13ClN4O2 MolecularWeight: 280.71022

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C=NC2=C1N=CN=C2Cl)CCC(=O)O

Isomeric SMILES

C/C(=C\CN1C=NC2=C1N=CN=C2Cl)/CCC(=O)O

InChI

InChI=1S/C12H13ClN4O2/c1-8(2-3-9(18)19)4-5-17-7-16-10-11(13)14-6-15-12(10)17/h4,6-7H,2-3,5H2,1H3,(H,18,19)/b8-4+