7-methyl-1-[(E)-2-phenylethenyl]-3H-purine-2,6-dione

Systemtic Name: 7-methyl-1-[(E)-2-phenylethenyl]-3H-purine-2,6-dione Openeye Name: 7-methyl-1-[(E)-styryl]-3H-purine-2,6-dione CAS Name: 7-methyl-1-[(E)-2-phenylethenyl]-3H-purine-2,6-dione IUPAC Name: 7-methyl-1-[(E)-2-phenylethenyl]-3H-purine-2,6-dione Traditional Name: 7-methyl-1-[(E)-styryl]xanthine Formula: C14H12N4O2 MolecularWeight: 268.27068

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2)C=CC3=CC=CC=C3

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C14H12N4O2/c1-17-9-15-12-11(17)13(19)18(14(20)16-12)8-7-10-5-3-2-4-6-10/h2-9H,1H3,(H,16,20)/b8-7+