2-(6-aminopurin-9-yl)-3-oxidanylidene-3-phenyl-propanoic acid

Systemtic Name: 2-(6-aminopurin-9-yl)-3-oxidanylidene-3-phenyl-propanoic acid Openeye Name: 2-(6-aminopurin-9-yl)-3-oxo-3-phenyl-propanoic acid CAS Name: 2-(6-aminopurin-9-yl)-3-oxo-3-phenylpropanoic acid IUPAC Name: 2-(6-aminopurin-9-yl)-3-oxo-3-phenylpropanoic acid Traditional Name: 2-adenin-9-yl-3-keto-3-phenyl-propionic acid Formula: C14H11N5O3 MolecularWeight: 297.26884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(C(=O)O)N2C=NC3=C2N=CN=C3N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(C(=O)O)N2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C14H11N5O3/c15-12-9-13(17-6-16-12)19(7-18-9)10(14(21)22)11(20)8-4-2-1-3-5-8/h1-7,10H,(H,21,22)(H2,15,16,17)