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

Systemtic Name: 8-[(E)-2-phenylethenyl]-3,7-dihydropurine-2,6-dione Openeye Name: 8-[(E)-styryl]-3,7-dihydropurine-2,6-dione CAS Name: 8-[(E)-2-phenylethenyl]-3,7-dihydropurine-2,6-dione IUPAC Name: 8-[(E)-2-phenylethenyl]-3,7-dihydropurine-2,6-dione Traditional Name: 8-[(E)-styryl]-7H-xanthine Formula: C13H10N4O2 MolecularWeight: 254.2441

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC2=NC3=C(N2)C(=O)NC(=O)N3

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C2=NC3=C(N2)C(=O)NC(=O)N3

InChI

InChI=1S/C13H10N4O2/c18-12-10-11(16-13(19)17-12)15-9(14-10)7-6-8-4-2-1-3-5-8/h1-7H,(H3,14,15,16,17,18,19)/b7-6+