8-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[(E)-2-(3-methoxyphenyl)vinyl]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[(E)-2-(3-methoxyphenyl)vinyl]-1,3,7-trimethyl-xanthine Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C=CC3=CC(=CC=C3)OC

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)/C=C/C3=CC(=CC=C3)OC

InChI

InChI=1S/C17H18N4O3/c1-19-13(9-8-11-6-5-7-12(10-11)24-4)18-15-14(19)16(22)21(3)17(23)20(15)2/h5-10H,1-4H3/b9-8+