8-ethenyl-1,3-dimethyl-7-(2-oxidanyl-2-phenyl-ethyl)purine-2,6-dione

Systemtic Name: 8-ethenyl-1,3-dimethyl-7-(2-oxidanyl-2-phenyl-ethyl)purine-2,6-dione Openeye Name: 7-(2-hydroxy-2-phenyl-ethyl)-1,3-dimethyl-8-vinyl-purine-2,6-dione CAS Name: 8-ethenyl-7-(2-hydroxy-2-phenylethyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-ethenyl-7-(2-hydroxy-2-phenylethyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-hydroxy-2-phenyl-ethyl)-1,3-dimethyl-8-vinyl-xanthine Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C=C)CC(C3=CC=CC=C3)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C=C)CC(C3=CC=CC=C3)O

InChI

InChI=1S/C17H18N4O3/c1-4-13-18-15-14(16(23)20(3)17(24)19(15)2)21(13)10-12(22)11-8-6-5-7-9-11/h4-9,12,22H,1,10H2,2-3H3