(E)-3-[4-(7H-purin-8-yl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(7H-purin-8-yl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(7H-purin-8-yl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-(7H-purin-8-yl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(7H-purin-8-yl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(7H-purin-8-yl)phenyl]acrylic acid Formula: C14H10N4O2 MolecularWeight: 266.2548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)O)C2=NC3=NC=NC=C3N2

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)O)C2=NC3=NC=NC=C3N2

InChI

InChI=1S/C14H10N4O2/c19-12(20)6-3-9-1-4-10(5-2-9)13-17-11-7-15-8-16-14(11)18-13/h1-8H,(H,19,20)(H,15,16,17,18)/b6-3+