(E)-4-methyl-6-(6-oxidanylidene-3H-purin-9-yl)hex-4-enoic acid

Systemtic Name: (E)-4-methyl-6-(6-oxidanylidene-3H-purin-9-yl)hex-4-enoic acid Openeye Name: (E)-4-methyl-6-(6-oxo-3H-purin-9-yl)hex-4-enoic acid CAS Name: (E)-4-methyl-6-(6-oxo-3H-purin-9-yl)-4-hexenoic acid IUPAC Name: (E)-4-methyl-6-(6-oxo-3H-purin-9-yl)hex-4-enoic acid Traditional Name: (E)-6-(6-keto-3H-purin-9-yl)-4-methyl-hex-4-enoic acid Formula: C12H14N4O3 MolecularWeight: 262.26456

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C=NC2=C1NC=NC2=O)CCC(=O)O

Isomeric SMILES

C/C(=C\CN1C=NC2=C1NC=NC2=O)/CCC(=O)O

InChI

InChI=1S/C12H14N4O3/c1-8(2-3-9(17)18)4-5-16-7-15-10-11(16)13-6-14-12(10)19/h4,6-7H,2-3,5H2,1H3,(H,17,18)(H,13,14,19)/b8-4+