9-[(E)-4-oxidanyl-3-phenyl-but-2-enyl]-3H-purin-6-one

Systemtic Name: 9-[(E)-4-oxidanyl-3-phenyl-but-2-enyl]-3H-purin-6-one Openeye Name: 9-[(E)-4-hydroxy-3-phenyl-but-2-enyl]-3H-purin-6-one CAS Name: 9-[(E)-4-hydroxy-3-phenylbut-2-enyl]-3H-purin-6-one IUPAC Name: 9-[(E)-4-hydroxy-3-phenylbut-2-enyl]-3H-purin-6-one Traditional Name: 9-[(E)-4-hydroxy-3-phenyl-but-2-enyl]-3H-purin-6-one Formula: C15H14N4O2 MolecularWeight: 282.29726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=CCN2C=NC3=C2NC=NC3=O)CO

Isomeric SMILES

C1=CC=C(C=C1)/C(=C\CN2C=NC3=C2NC=NC3=O)/CO

InChI

InChI=1S/C15H14N4O2/c20-8-12(11-4-2-1-3-5-11)6-7-19-10-18-13-14(19)16-9-17-15(13)21/h1-6,9-10,20H,7-8H2,(H,16,17,21)/b12-6-