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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2CCCOC)CC#C)C#CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2CCCOC)CC#C)C#CC3=CC(=C(C=C3)OC)OC

InChI

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