7-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-3-phenyl-1-prop-2-enyl-purine-2,6-dione

Systemtic Name: 7-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-3-phenyl-1-prop-2-enyl-purine-2,6-dione Openeye Name: 1-allyl-7-[2-(3-methoxyphenyl)-2-oxo-ethyl]-3-phenyl-purine-2,6-dione CAS Name: 7-[2-(3-methoxyphenyl)-2-oxoethyl]-3-phenyl-1-prop-2-enylpurine-2,6-dione IUPAC Name: 7-[2-(3-methoxyphenyl)-2-oxoethyl]-3-phenyl-1-prop-2-enylpurine-2,6-dione Traditional Name: 1-allyl-7-[2-keto-2-(3-methoxyphenyl)ethyl]-3-phenyl-xanthine Formula: C23H20N4O4 MolecularWeight: 416.4293

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC=CC=C4)CC=C

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC=CC=C4)CC=C

InChI

InChI=1S/C23H20N4O4/c1-3-12-26-22(29)20-21(27(23(26)30)17-9-5-4-6-10-17)24-15-25(20)14-19(28)16-8-7-11-18(13-16)31-2/h3-11,13,15H,1,12,14H2,2H3