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

Systemtic Name: 8-[2-(3,4-dimethoxyphenyl)ethynyl]-7-methyl-3-[(2S)-2-methyl-3-oxidanyl-propyl]-1-prop-2-ynyl-purine-2,6-dione Openeye Name: 8-[2-(3,4-dimethoxyphenyl)ethynyl]-3-[(2S)-3-hydroxy-2-methyl-propyl]-7-methyl-1-prop-2-ynyl-purine-2,6-dione CAS Name: 8-[2-(3,4-dimethoxyphenyl)ethynyl]-3-[(2S)-3-hydroxy-2-methylpropyl]-7-methyl-1-prop-2-ynylpurine-2,6-dione IUPAC Name: 8-[2-(3,4-dimethoxyphenyl)ethynyl]-3-[(2S)-3-hydroxy-2-methylpropyl]-7-methyl-1-prop-2-ynylpurine-2,6-dione Traditional Name: 8-[2-(3,4-dimethoxyphenyl)ethynyl]-3-[(2S)-3-hydroxy-2-methyl-propyl]-7-methyl-1-propargyl-xanthine Formula: C23H24N4O5 MolecularWeight: 436.46046

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(C(=O)N(C1=O)CC#C)N(C(=N2)C#CC3=CC(=C(C=C3)OC)OC)C)CO

Isomeric SMILES

C[C@@H](CN1C2=C(C(=O)N(C1=O)CC#C)N(C(=N2)C#CC3=CC(=C(C=C3)OC)OC)C)CO

InChI

InChI=1S/C23H24N4O5/c1-6-11-26-22(29)20-21(27(23(26)30)13-15(2)14-28)24-19(25(20)3)10-8-16-7-9-17(31-4)18(12-16)32-5/h1,7,9,12,15,28H,11,13-14H2,2-5H3/t15-/m0/s1