8-[2-(3,4-dimethoxyphenyl)ethynyl]-7-methyl-3-(3-oxidanylidenebutan-2-yl)-1-prop-2-ynyl-purine-2,6-dione

Systemtic Name: 8-[2-(3,4-dimethoxyphenyl)ethynyl]-7-methyl-3-(3-oxidanylidenebutan-2-yl)-1-prop-2-ynyl-purine-2,6-dione Openeye Name: 8-[2-(3,4-dimethoxyphenyl)ethynyl]-7-methyl-3-(1-methyl-2-oxo-propyl)-1-prop-2-ynyl-purine-2,6-dione CAS Name: 8-[2-(3,4-dimethoxyphenyl)ethynyl]-7-methyl-3-(3-oxobutan-2-yl)-1-prop-2-ynylpurine-2,6-dione IUPAC Name: 8-[2-(3,4-dimethoxyphenyl)ethynyl]-7-methyl-3-(3-oxobutan-2-yl)-1-prop-2-ynylpurine-2,6-dione Traditional Name: 8-[2-(3,4-dimethoxyphenyl)ethynyl]-3-(2-keto-1-methyl-propyl)-7-methyl-1-propargyl-xanthine Formula: C23H22N4O5 MolecularWeight: 434.44458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)N1C2=C(C(=O)N(C1=O)CC#C)N(C(=N2)C#CC3=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

CC(C(=O)C)N1C2=C(C(=O)N(C1=O)CC#C)N(C(=N2)C#CC3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C23H22N4O5/c1-7-12-26-22(29)20-21(27(23(26)30)14(2)15(3)28)24-19(25(20)4)11-9-16-8-10-17(31-5)18(13-16)32-6/h1,8,10,13-14H,12H2,2-6H3