1,3-dimethyl-8-[(E)-2-phenylethenyl]-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[(E)-2-phenylethenyl]-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-1,3-dimethyl-8-[(E)-styryl]purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(E)-2-phenylethenyl]-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-[(E)-2-phenylethenyl]purine-2,6-dione Traditional Name: 7-benzyl-1,3-dimethyl-8-[(E)-styryl]xanthine Formula: C22H20N4O2 MolecularWeight: 372.4198

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C=CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)/C=C/C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H20N4O2/c1-24-20-19(21(27)25(2)22(24)28)26(15-17-11-7-4-8-12-17)18(23-20)14-13-16-9-5-3-6-10-16/h3-14H,15H2,1-2H3/b14-13+