1-[(E)-2-phenylethenyl]-3,7-dihydropurine-2,6-dione

Systemtic Name: 1-[(E)-2-phenylethenyl]-3,7-dihydropurine-2,6-dione Openeye Name: 1-[(E)-styryl]-3,7-dihydropurine-2,6-dione CAS Name: 1-[(E)-2-phenylethenyl]-3,7-dihydropurine-2,6-dione IUPAC Name: 1-[(E)-2-phenylethenyl]-3,7-dihydropurine-2,6-dione Traditional Name: 1-[(E)-styryl]-7H-xanthine Formula: C13H10N4O2 MolecularWeight: 254.2441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CN2C(=O)C3=C(NC2=O)N=CN3

Isomeric SMILES

C1=CC=C(C=C1)/C=C/N2C(=O)C3=C(NC2=O)N=CN3

InChI

InChI=1S/C13H10N4O2/c18-12-10-11(15-8-14-10)16-13(19)17(12)7-6-9-4-2-1-3-5-9/h1-8H,(H,14,15)(H,16,19)/b7-6+